2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid

C16H16N6O3 — CID 167791732

IUPAC2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCN(c2ccc3nc[nH]c(=O)c3n2)CC1
InChIInChI=1S/C16H16N6O3/c23-15-14-11(17-9-18-15)1-2-13(20-14)21-7-4-10(5-8-21)22-12(16(24)25)3-6-19-22/h1-3,6,9-10H,4-5,7-8H2,(H,24,25)(H,17,18,23)
InChIKeyLCNNRVOPGKMNQP-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.05
Rot. Bonds3

About 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid

2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid (PubChem CID 167791732) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid
PubChem CID167791732
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCN(c2ccc3nc[nH]c(=O)c3n2)CC1
InChIInChI=1S/C16H16N6O3/c23-15-14-11(17-9-18-15)1-2-13(20-14)21-7-4-10(5-8-21)22-12(16(24)25)3-6-19-22/h1-3,6,9-10H,4-5,7-8H2,(H,24,25)(H,17,18,23)
InChIKeyLCNNRVOPGKMNQP-UHFFFAOYSA-N
XLogP1.05
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid (CID 167791732) is 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid is O=C(O)c1ccnn1C1CCN(c2ccc3nc[nH]c(=O)c3n2)CC1.
What is the InChIKey of 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is LCNNRVOPGKMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-15-14-11(17-9-18-15)1-2-13(20-14)21-7-4-10(5-8-21)22-12(16(24)25)3-6-19-22/h1-3,6,9-10H,4-5,7-8H2,(H,24,25)(H,17,18,23).
What are the key properties of 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid?
2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)piperidin-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 167791732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).