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

C25H30N8O3 — CID 167666701

IUPACN-[(2R)-2-hydroxycyclopentyl]-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)NC3CCC[C@H]3O)cnn12
InChIInChI=1S/C25H30N8O3/c1-26-22-12-18(29-23-16(13-28-33(22)23)25(35)30-17-4-3-5-21(17)34)19-6-7-20(24-27-9-11-32(19)24)31-10-8-15(14-31)36-2/h6-7,9,11-13,15,17,21,26,34H,3-5,8,10,14H2,1-2H3,(H,30,35)/t15-,17?,21+/m0/s1
InChIKeyQJWRKXQFUFSNOX-JIJYOHDDSA-N
MW490.57 g/mol
LogP1.95
Rot. Bonds6

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

N-[(2R)-2-hydroxycyclopentyl]-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 167666701) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[(2R)-2-hydroxycyclopentyl]-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-[(2R)-2-hydroxycyclopentyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167666701
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-[(2R)-2-hydroxycyclopentyl]-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)NC3CCC[C@H]3O)cnn12
InChIInChI=1S/C25H30N8O3/c1-26-22-12-18(29-23-16(13-28-33(22)23)25(35)30-17-4-3-5-21(17)34)19-6-7-20(24-27-9-11-32(19)24)31-10-8-15(14-31)36-2/h6-7,9,11-13,15,17,21,26,34H,3-5,8,10,14H2,1-2H3,(H,30,35)/t15-,17?,21+/m0/s1
InChIKeyQJWRKXQFUFSNOX-JIJYOHDDSA-N
XLogP1.95
TPSA121.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxycyclopentyl]-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-[(2R)-2-hydroxycyclopentyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167666701) is N-[(2R)-2-hydroxycyclopentyl]-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-[(2R)-2-hydroxycyclopentyl]-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-[(2R)-2-hydroxycyclopentyl]-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)NC3CCC[C@H]3O)cnn12.
What is the InChIKey of N-[(2R)-2-hydroxycyclopentyl]-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 QJWRKXQFUFSNOX-JIJYOHDDSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-26-22-12-18(29-23-16(13-28-33(22)23)25(35)30-17-4-3-5-21(17)34)19-6-7-20(24-27-9-11-32(19)24)31-10-8-15(14-31)36-2/h6-7,9,11-13,15,17,21,26,34H,3-5,8,10,14H2,1-2H3,(H,30,35)/t15-,17?,21+/m0/s1.
What are the key properties of N-[(2R)-2-hydroxycyclopentyl]-5-[8-[(3S)-3-methoxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-5-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-2-hydroxycyclopentyl]-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 490.57 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxycyclopentyl]-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 167666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).