N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28FN9O — CID 146383308

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C24H28FN9O/c1-26-20-13-19(29-23-16(14-28-34(20)23)24(35)30-18-12-17(18)25)21-15-6-5-7-27-22(15)33(31-21)11-10-32-8-3-2-4-9-32/h5-7,13-14,17-18,26H,2-4,8-12H2,1H3,(H,30,35)/t17-,18+/m1/s1
InChIKeyTXBXXDISLSCEGI-MSOLQXFVSA-N
MW477.55 g/mol
LogP2.51
Rot. Bonds7

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383308) has the molecular formula C24H28FN9O and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383308
Molecular FormulaC24H28FN9O
Molecular Weight477.55 g/mol
Exact Mass477.24
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C24H28FN9O/c1-26-20-13-19(29-23-16(14-28-34(20)23)24(35)30-18-12-17(18)25)21-15-6-5-7-27-22(15)33(31-21)11-10-32-8-3-2-4-9-32/h5-7,13-14,17-18,26H,2-4,8-12H2,1H3,(H,30,35)/t17-,18+/m1/s1
InChIKeyTXBXXDISLSCEGI-MSOLQXFVSA-N
XLogP2.51
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-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-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383308) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2nn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TXBXXDISLSCEGI-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H28FN9O/c1-26-20-13-19(29-23-16(14-28-34(20)23)24(35)30-18-12-17(18)25)21-15-6-5-7-27-22(15)33(31-21)11-10-32-8-3-2-4-9-32/h5-7,13-14,17-18,26H,2-4,8-12H2,1H3,(H,30,35)/t17-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).