N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26F2N8O2 — CID 137449537

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H26F2N8O2/c1-25-19-9-18(29-20-14(10-26-32(19)20)21(33)28-16-8-15(16)24)27-17-7-12(23)11-31(22(17)34)13-3-5-30(2)6-4-13/h7,9-11,13,15-16,25H,3-6,8H2,1-2H3,(H,27,29)(H,28,33)/t15-,16+/m1/s1
InChIKeyMSMPRCKKHCVLNW-CVEARBPZSA-N
MW472.50 g/mol
LogP1.92
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449537) has the molecular formula C22H26F2N8O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449537
Molecular FormulaC22H26F2N8O2
Molecular Weight472.50 g/mol
Exact Mass472.21
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H26F2N8O2/c1-25-19-9-18(29-20-14(10-26-32(19)20)21(33)28-16-8-15(16)24)27-17-7-12(23)11-31(22(17)34)13-3-5-30(2)6-4-13/h7,9-11,13,15-16,25H,3-6,8H2,1-2H3,(H,27,29)(H,28,33)/t15-,16+/m1/s1
InChIKeyMSMPRCKKHCVLNW-CVEARBPZSA-N
XLogP1.92
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449537) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MSMPRCKKHCVLNW-CVEARBPZSA-N. The full InChI is InChI=1S/C22H26F2N8O2/c1-25-19-9-18(29-20-14(10-26-32(19)20)21(33)28-16-8-15(16)24)27-17-7-12(23)11-31(22(17)34)13-3-5-30(2)6-4-13/h7,9-11,13,15-16,25H,3-6,8H2,1-2H3,(H,27,29)(H,28,33)/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).