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

C19H20FN7O2 — CID 137449692

IUPAC7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NC2CC2)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C19H20FN7O2/c1-29-19-13(3-2-6-21-19)24-15-8-16(23-10-4-5-10)27-17(26-15)11(9-22-27)18(28)25-14-7-12(14)20/h2-3,6,8-10,12,14,23H,4-5,7H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m0/s1
InChIKeyLZGDECWKIHRUOH-GXTWGEPZSA-N
MW397.41 g/mol
LogP2.29
Rot. Bonds7

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

7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449692) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449692
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncccc1Nc1cc(NC2CC2)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C19H20FN7O2/c1-29-19-13(3-2-6-21-19)24-15-8-16(23-10-4-5-10)27-17(26-15)11(9-22-27)18(28)25-14-7-12(14)20/h2-3,6,8-10,12,14,23H,4-5,7H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m0/s1
InChIKeyLZGDECWKIHRUOH-GXTWGEPZSA-N
XLogP2.29
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449661
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
(7S)-10-fluorospiro[5,14-dioxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
CID 162506461
3-chloro-7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10577066
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10647512
N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166630118
N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534346
N-(2-methoxy-4-piperidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534347
5-[(3R)-3-aminopiperidin-1-yl]-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534348
N-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534350
5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534357
N-(2-methoxy-4-pyrrolidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534358

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449692) is 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncccc1Nc1cc(NC2CC2)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.
What is the InChIKey of 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LZGDECWKIHRUOH-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-29-19-13(3-2-6-21-19)24-15-8-16(23-10-4-5-10)27-17(26-15)11(9-22-27)18(28)25-14-7-12(14)20/h2-3,6,8-10,12,14,23H,4-5,7H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m0/s1.
What are the key properties of 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).