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

C24H28N8O2 — CID 167666700

IUPAC5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/C24H28N8O2/c1-14-10-17(14)29-24(33)16-12-27-32-21(25-2)11-18(28-22(16)32)19-4-5-20(23-26-7-9-31(19)23)30-8-6-15(13-30)34-3/h4-5,7,9,11-12,14-15,17,25H,6,8,10,13H2,1-3H3,(H,29,33)/t14-,15-,17+/m0/s1
InChIKeyPUDKXPISYRKARH-YQQAZPJKSA-N
MW460.54 g/mol
LogP2.45
Rot. Bonds6

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

5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167666700) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167666700
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/C24H28N8O2/c1-14-10-17(14)29-24(33)16-12-27-32-21(25-2)11-18(28-22(16)32)19-4-5-20(23-26-7-9-31(19)23)30-8-6-15(13-30)34-3/h4-5,7,9,11-12,14-15,17,25H,6,8,10,13H2,1-3H3,(H,29,33)/t14-,15-,17+/m0/s1
InChIKeyPUDKXPISYRKARH-YQQAZPJKSA-N
XLogP2.45
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167666700) is 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]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]3C)cnn12.
What is the InChIKey of 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PUDKXPISYRKARH-YQQAZPJKSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-14-10-17(14)29-24(33)16-12-27-32-21(25-2)11-18(28-22(16)32)19-4-5-20(23-26-7-9-31(19)23)30-8-6-15(13-30)34-3/h4-5,7,9,11-12,14-15,17,25H,6,8,10,13H2,1-3H3,(H,29,33)/t14-,15-,17+/m0/s1.
What are the key properties of 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)-N-[(1R,2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).