N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25FN8O2 — CID 146560406

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H25FN8O2/c1-25-20-10-17(28-21-14(11-27-32(20)21)23(33)29-16-9-15(16)24)18-3-4-19(22-26-6-8-31(18)22)30-7-5-13(12-30)34-2/h3-4,6,8,10-11,13,15-16,25H,5,7,9,12H2,1-2H3,(H,29,33)/t13-,15-,16+/m0/s1
InChIKeyQCHCPTYDUPRMQV-CWRNSKLLSA-N
MW464.51 g/mol
LogP2.15
Rot. Bonds6

About N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560406) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560406
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H25FN8O2/c1-25-20-10-17(28-21-14(11-27-32(20)21)23(33)29-16-9-15(16)24)18-3-4-19(22-26-6-8-31(18)22)30-7-5-13(12-30)34-2/h3-4,6,8,10-11,13,15-16,25H,5,7,9,12H2,1-2H3,(H,29,33)/t13-,15-,16+/m0/s1
InChIKeyQCHCPTYDUPRMQV-CWRNSKLLSA-N
XLogP2.15
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560406) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QCHCPTYDUPRMQV-CWRNSKLLSA-N. The full InChI is InChI=1S/C23H25FN8O2/c1-25-20-10-17(28-21-14(11-27-32(20)21)23(33)29-16-9-15(16)24)18-3-4-19(22-26-6-8-31(18)22)30-7-5-13(12-30)34-2/h3-4,6,8,10-11,13,15-16,25H,5,7,9,12H2,1-2H3,(H,29,33)/t13-,15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).