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

C14H16N6O — CID 135567109

IUPAC8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1
InChIInChI=1S/C14H16N6O/c1-19(2)6-4-10-7-18-20(8-10)13-12-11(3-5-15-13)14(21)17-9-16-12/h3,5,7-9H,4,6H2,1-2H3,(H,16,17,21)
InChIKeyXMPNGNYDXRKBIH-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.61
Rot. Bonds4

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

8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567109) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567109
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1
InChIInChI=1S/C14H16N6O/c1-19(2)6-4-10-7-18-20(8-10)13-12-11(3-5-15-13)14(21)17-9-16-12/h3,5,7-9H,4,6H2,1-2H3,(H,16,17,21)
InChIKeyXMPNGNYDXRKBIH-UHFFFAOYSA-N
XLogP0.61
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
Dipyridodiazepinone deriv. 53
CID 463573
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid [5-(azetidine-1-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 58548168
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
8-[4-[2-[4-[3,5-Bis(Chloranyl)phenyl]piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567115
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-[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
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137174995
8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175122

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567109) is 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is CN(C)CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1.
What is the InChIKey of 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XMPNGNYDXRKBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19(2)6-4-10-7-18-20(8-10)13-12-11(3-5-15-13)14(21)17-9-16-12/h3,5,7-9H,4,6H2,1-2H3,(H,16,17,21).
What are the key properties of 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).