7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine

C83H90N22O6 — CID 157243074

IUPAC7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine
SMILESCN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1N
InChIInChI=1S/C30H31N7O2.C25H23N7O.C23H25N7O2.C5H11NO/c1-35(17-19-7-4-3-5-8-19)27-15-25(23-18-36(20-10-11-20)28-21(23)9-6-14-31-28)33-29-22(16-32-37(27)29)30(38)34-24-12-13-26(24)39-2;1-30(14-16-6-3-2-4-7-16)22-12-21(29-25-19(23(26)33)13-28-32(22)25)20-15-31(17-9-10-17)24-18(20)8-5-11-27-24;1-24-20-10-18(16-12-29(13-5-6-13)21-14(16)4-3-9-25-21)27-22-15(11-26-30(20)22)23(31)28-17-7-8-19(17)32-2;1-7-5-3-2-4(5)6/h3-9,14-16,18,20,24,26H,10-13,17H2,1-2H3,(H,34,38);2-8,11-13,15,17H,9-10,14H2,1H3,(H2,26,33);3-4,9-13,17,19,24H,5-8H2,1-2H3,(H,28,31);4-5H,2-3,6H2,1H3/t24?,26-;;17?,19-;4-,5-/m0.00/s1
InChIKeyAVKWRQRFMUCHLC-TTWIFCKMSA-N
MW1491.78 g/mol
LogP11.59
Rot. Bonds21

About 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine

7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine (PubChem CID 157243074) has the molecular formula C83H90N22O6 and a molecular weight of 1491.78 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine
PubChem CID157243074
Molecular FormulaC83H90N22O6
Molecular Weight1491.78 g/mol
Exact Mass1490.74
IUPAC Name7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine
SMILESCN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1N
InChIInChI=1S/C30H31N7O2.C25H23N7O.C23H25N7O2.C5H11NO/c1-35(17-19-7-4-3-5-8-19)27-15-25(23-18-36(20-10-11-20)28-21(23)9-6-14-31-28)33-29-22(16-32-37(27)29)30(38)34-24-12-13-26(24)39-2;1-30(14-16-6-3-2-4-7-16)22-12-21(29-25-19(23(26)33)13-28-32(22)25)20-15-31(17-9-10-17)24-18(20)8-5-11-27-24;1-24-20-10-18(16-12-29(13-5-6-13)21-14(16)4-3-9-25-21)27-22-15(11-26-30(20)22)23(31)28-17-7-8-19(17)32-2;1-7-5-3-2-4(5)6/h3-9,14-16,18,20,24,26H,10-13,17H2,1-2H3,(H,34,38);2-8,11-13,15,17H,9-10,14H2,1H3,(H2,26,33);3-4,9-13,17,19,24H,5-8H2,1-2H3,(H,28,31);4-5H,2-3,6H2,1H3/t24?,26-;;17?,19-;4-,5-/m0.00/s1
InChIKeyAVKWRQRFMUCHLC-TTWIFCKMSA-N
XLogP11.59
TPSA317.54 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001491.78
LogP ≤ 511.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine with MolForge

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Related Compounds

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560487
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572572
5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441394
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449906
5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383418
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559199
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559213
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559227
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559230
N-[(2R)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559916
N-[(2S)-2-fluorocyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559917
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559919

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine?
The IUPAC name of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine (CID 157243074) is 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine is CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1N.
What is the InChIKey of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine?
The InChIKey is AVKWRQRFMUCHLC-TTWIFCKMSA-N. The full InChI is InChI=1S/C30H31N7O2.C25H23N7O.C23H25N7O2.C5H11NO/c1-35(17-19-7-4-3-5-8-19)27-15-25(23-18-36(20-10-11-20)28-21(23)9-6-14-31-28)33-29-22(16-32-37(27)29)30(38)34-24-12-13-26(24)39-2;1-30(14-16-6-3-2-4-7-16)22-12-21(29-25-19(23(26)33)13-28-32(22)25)20-15-31(17-9-10-17)24-18(20)8-5-11-27-24;1-24-20-10-18(16-12-29(13-5-6-13)21-14(16)4-3-9-25-21)27-22-15(11-26-30(20)22)23(31)28-17-7-8-19(17)32-2;1-7-5-3-2-4(5)6/h3-9,14-16,18,20,24,26H,10-13,17H2,1-2H3,(H,34,38);2-8,11-13,15,17H,9-10,14H2,1H3,(H2,26,33);3-4,9-13,17,19,24H,5-8H2,1-2H3,(H,28,31);4-5H,2-3,6H2,1H3/t24?,26-;;17?,19-;4-,5-/m0.00/s1.
What are the key properties of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine?
7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine has a molecular weight of 1491.78 g/mol, XLogP of 11.59, 21 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 157243074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).