[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone

C17H17N7O — CID 118970898

IUPAC[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
SMILESCn1nccc1Nc1ncc2c(n1)CCN(C(=O)c1cccnc1)C2
InChIInChI=1S/C17H17N7O/c1-23-15(4-7-20-23)22-17-19-10-13-11-24(8-5-14(13)21-17)16(25)12-3-2-6-18-9-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,19,21,22)
InChIKeyHTDUCXSZMDZCEV-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.55
Rot. Bonds3

About [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone

[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone (PubChem CID 118970898) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
PubChem CID118970898
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
SMILESCn1nccc1Nc1ncc2c(n1)CCN(C(=O)c1cccnc1)C2
InChIInChI=1S/C17H17N7O/c1-23-15(4-7-20-23)22-17-19-10-13-11-24(8-5-14(13)21-17)16(25)12-3-2-6-18-9-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,19,21,22)
InChIKeyHTDUCXSZMDZCEV-UHFFFAOYSA-N
XLogP1.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone (CID 118970898) is [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone is Cn1nccc1Nc1ncc2c(n1)CCN(C(=O)c1cccnc1)C2.
What is the InChIKey of [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The InChIKey is HTDUCXSZMDZCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-23-15(4-7-20-23)22-17-19-10-13-11-24(8-5-14(13)21-17)16(25)12-3-2-6-18-9-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,19,21,22).
What are the key properties of [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
[2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone has a molecular weight of 335.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 118970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).