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

C22H25N7O3 — CID 146560931

IUPACN-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(C(C)C)c3nccn23)nc2c(C(=O)NC3COC[C@H]3O)cnn12
InChIInChI=1S/C22H25N7O3/c1-12(2)13-4-5-17(28-7-6-24-20(13)28)15-8-19(23-3)29-21(26-15)14(9-25-29)22(31)27-16-10-32-11-18(16)30/h4-9,12,16,18,23,30H,10-11H2,1-3H3,(H,27,31)/t16?,18-/m1/s1
InChIKeyAPZPKPCIPBJCAH-UHUGOGIASA-N
MW435.49 g/mol
LogP1.70
Rot. Bonds5

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

N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560931) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560931
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC NameN-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2ccc(C(C)C)c3nccn23)nc2c(C(=O)NC3COC[C@H]3O)cnn12
InChIInChI=1S/C22H25N7O3/c1-12(2)13-4-5-17(28-7-6-24-20(13)28)15-8-19(23-3)29-21(26-15)14(9-25-29)22(31)27-16-10-32-11-18(16)30/h4-9,12,16,18,23,30H,10-11H2,1-3H3,(H,27,31)/t16?,18-/m1/s1
InChIKeyAPZPKPCIPBJCAH-UHUGOGIASA-N
XLogP1.70
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560931) is N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2ccc(C(C)C)c3nccn23)nc2c(C(=O)NC3COC[C@H]3O)cnn12.
What is the InChIKey of N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is APZPKPCIPBJCAH-UHUGOGIASA-N. The full InChI is InChI=1S/C22H25N7O3/c1-12(2)13-4-5-17(28-7-6-24-20(13)28)15-8-19(23-3)29-21(26-15)14(9-25-29)22(31)27-16-10-32-11-18(16)30/h4-9,12,16,18,23,30H,10-11H2,1-3H3,(H,27,31)/t16?,18-/m1/s1.
What are the key properties of N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-(8-propan-2-ylimidazo[1,2-a]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).