N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25N7O3 — CID 146570149

IUPACN-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3[C@H]4COC[C@@H]34)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C24H25N7O3/c1-25-20-7-18(28-23-13(8-27-31(20)23)24(33)29-17-4-5-19(17)32)14-9-30(21-15-10-34-11-16(15)21)22-12(14)3-2-6-26-22/h2-3,6-9,15-17,19,21,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16+,17-,19-,21?/m1/s1
InChIKeyWORPMFNUVQHCFE-UDDBYXLESA-N
MW459.51 g/mol
LogP1.86
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146570149) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146570149
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3[C@H]4COC[C@@H]34)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C24H25N7O3/c1-25-20-7-18(28-23-13(8-27-31(20)23)24(33)29-17-4-5-19(17)32)14-9-30(21-15-10-34-11-16(15)21)22-12(14)3-2-6-26-22/h2-3,6-9,15-17,19,21,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16+,17-,19-,21?/m1/s1
InChIKeyWORPMFNUVQHCFE-UDDBYXLESA-N
XLogP1.86
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146570149) is N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3[C@H]4COC[C@@H]34)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WORPMFNUVQHCFE-UDDBYXLESA-N. The full InChI is InChI=1S/C24H25N7O3/c1-25-20-7-18(28-23-13(8-27-31(20)23)24(33)29-17-4-5-19(17)32)14-9-30(21-15-10-34-11-16(15)21)22-12(14)3-2-6-26-22/h2-3,6-9,15-17,19,21,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16+,17-,19-,21?/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146570149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).