8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C16H18N6O — CID 137174994

IUPAC8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCCC4)cn3)nccc12
InChIInChI=1S/C16H18N6O/c23-16-13-3-5-17-15(14(13)18-11-19-16)22-10-12(9-20-22)4-8-21-6-1-2-7-21/h3,5,9-11H,1-2,4,6-8H2,(H,18,19,23)
InChIKeyYGOIGEVVZIZMBG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.14
Rot. Bonds4

About 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137174994) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137174994
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCCC4)cn3)nccc12
InChIInChI=1S/C16H18N6O/c23-16-13-3-5-17-15(14(13)18-11-19-16)22-10-12(9-20-22)4-8-21-6-1-2-7-21/h3,5,9-11H,1-2,4,6-8H2,(H,18,19,23)
InChIKeyYGOIGEVVZIZMBG-UHFFFAOYSA-N
XLogP1.14
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71288581
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-dimethylamino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-amide
CID 71538418
4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
CID 71538690
8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175094
Dipyridodiazepinone deriv. 34
CID 463554
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
8-[4-[2-[4-[(4-Chlorophenyl)methyl]piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567112

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137174994) is 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cc(CCN4CCCC4)cn3)nccc12.
What is the InChIKey of 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YGOIGEVVZIZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16-13-3-5-17-15(14(13)18-11-19-16)22-10-12(9-20-22)4-8-21-6-1-2-7-21/h3,5,9-11H,1-2,4,6-8H2,(H,18,19,23).
What are the key properties of 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).