N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28N8O4 — CID 146569578

About N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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 146569578) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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 Name: N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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: 146569578
• Molecular Formula: C24H28N8O4
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.22
• IUPAC Name: N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2ccc(N3CC[C@H](OC)C3)c3nccn23)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12
• InChI: InChI=1S/C24H28N8O4/c1-25-21-9-16(28-22-15(10-27-32(21)22)24(34)29-17-12-36-13-20(17)33)18-3-4-19(23-26-6-8-31(18)23)30-7-5-14(11-30)35-2/h3-4,6,8-10,14,17,20,25,33H,5,7,11-13H2,1-2H3,(H,29,34)/t14-,17+,20-/m0/s1
• InChIKey: HQQMAAFAJKUUBM-NQYLQCIDSA-N
• XLogP: 0.80
• TPSA: 130.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569578) is N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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-[(3R,4R)-4-hydroxyoxolan-3-yl]-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-[(3R,4R)-4-hydroxyoxolan-3-yl]-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]3COC[C@@H]3O)cnn12.

What is the InChIKey of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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 HQQMAAFAJKUUBM-NQYLQCIDSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-25-21-9-16(28-22-15(10-27-32(21)22)24(34)29-17-12-36-13-20(17)33)18-3-4-19(23-26-6-8-31(18)23)30-7-5-14(11-30)35-2/h3-4,6,8-10,14,17,20,25,33H,5,7,11-13H2,1-2H3,(H,29,34)/t14-,17+,20-/m0/s1.

What are the key properties of N-[(3R,4R)-4-hydroxyoxolan-3-yl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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 492.54 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-4-hydroxyoxolan-3-yl]-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 146569578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).