2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one

C23H25N9O — CID 170117761

IUPAC2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(C3CCN(c4ccc(-c5nn[nH]n5)nc4)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H25N9O/c33-23-18-3-1-2-4-19(18)25-21(26-23)15-7-10-32(14-15)16-8-11-31(12-9-16)17-5-6-20(24-13-17)22-27-29-30-28-22/h1-6,13,15-16H,7-12,14H2,(H,25,26,33)(H,27,28,29,30)
InChIKeyYTAROPXZTQMLFY-UHFFFAOYSA-N
MW443.52 g/mol
LogP1.96
Rot. Bonds4

About 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one

2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one (PubChem CID 170117761) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one
PubChem CID170117761
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(C3CCN(c4ccc(-c5nn[nH]n5)nc4)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H25N9O/c33-23-18-3-1-2-4-19(18)25-21(26-23)15-7-10-32(14-15)16-8-11-31(12-9-16)17-5-6-20(24-13-17)22-27-29-30-28-22/h1-6,13,15-16H,7-12,14H2,(H,25,26,33)(H,27,28,29,30)
InChIKeyYTAROPXZTQMLFY-UHFFFAOYSA-N
XLogP1.96
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one
CID 169148949
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]benzonitrile
CID 169148872
N-methyl-5-[4-[3-(4-oxo-3H-pyrimido[4,5-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148652
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148887
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
CID 169148545
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
2-[4-[4-[3-(methoxymethyl)pyrrolidin-1-yl]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138554206
N-methyl-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 170123508
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one (CID 170117761) is 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCN(C3CCN(c4ccc(-c5nn[nH]n5)nc4)CC3)C2)nc2ccccc12.
What is the InChIKey of 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one?
The InChIKey is YTAROPXZTQMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c33-23-18-3-1-2-4-19(18)25-21(26-23)15-7-10-32(14-15)16-8-11-31(12-9-16)17-5-6-20(24-13-17)22-27-29-30-28-22/h1-6,13,15-16H,7-12,14H2,(H,25,26,33)(H,27,28,29,30).
What are the key properties of 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one?
2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one has a molecular weight of 443.52 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 170117761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).