N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22FN7O2 — CID 146383304

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(C)O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O2/c1-19(2,29)16-12(5-4-6-22-16)24-14-8-15(21-3)27-17(26-14)10(9-23-27)18(28)25-13-7-11(13)20/h4-6,8-9,11,13,21,29H,7H2,1-3H3,(H,24,26)(H,25,28)/t11-,13+/m1/s1
InChIKeyLZECGSOIBMKEHU-YPMHNXCESA-N
MW399.43 g/mol
LogP1.98
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383304) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383304
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(C)O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O2/c1-19(2,29)16-12(5-4-6-22-16)24-14-8-15(21-3)27-17(26-14)10(9-23-27)18(28)25-13-7-11(13)20/h4-6,8-9,11,13,21,29H,7H2,1-3H3,(H,24,26)(H,25,28)/t11-,13+/m1/s1
InChIKeyLZECGSOIBMKEHU-YPMHNXCESA-N
XLogP1.98
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

MK 1775
CID 24856436
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
5-[5-amino-2-[(R)-(3-fluoro-2-pyridinyl)-hydroxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
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N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
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5-cyclopropyl-7-(difluoromethyl)-N-3-pyridinylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257401
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
CID 90155128
1-[4-(Cyanomethyl)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71537365
US10618903, Example 198
CID 124157844
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449132
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449209
N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449211
5-[[2-(1,1-difluoroethyl)pyridin-3-yl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449349

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383304) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2C(C)(C)O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LZECGSOIBMKEHU-YPMHNXCESA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-19(2,29)16-12(5-4-6-22-16)24-14-8-15(21-3)27-17(26-14)10(9-23-27)18(28)25-13-7-11(13)20/h4-6,8-9,11,13,21,29H,7H2,1-3H3,(H,24,26)(H,25,28)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).