2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

C20H23N5O — CID 137209523

IUPAC2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnn3c2CCCC3)nc2ccccc12
InChIInChI=1S/C20H23N5O/c26-20-15-6-1-2-7-16(15)22-19(23-20)18-9-5-10-24(18)13-14-12-21-25-11-4-3-8-17(14)25/h1-2,6-7,12,18H,3-5,8-11,13H2,(H,22,23,26)
InChIKeyHPCPNAMQVLKUMD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.79
Rot. Bonds3

About 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209523) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209523
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnn3c2CCCC3)nc2ccccc12
InChIInChI=1S/C20H23N5O/c26-20-15-6-1-2-7-16(15)22-19(23-20)18-9-5-10-24(18)13-14-12-21-25-11-4-3-8-17(14)25/h1-2,6-7,12,18H,3-5,8-11,13H2,(H,22,23,26)
InChIKeyHPCPNAMQVLKUMD-UHFFFAOYSA-N
XLogP2.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209522
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950528
2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209566
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950890
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-[(2-methoxypyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209551
4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 137209624
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923237
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209523) is 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCCN2Cc2cnn3c2CCCC3)nc2ccccc12.
What is the InChIKey of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is HPCPNAMQVLKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20-15-6-1-2-7-16(15)22-19(23-20)18-9-5-10-24(18)13-14-12-21-25-11-4-3-8-17(14)25/h1-2,6-7,12,18H,3-5,8-11,13H2,(H,22,23,26).
What are the key properties of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).