(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C18H18ClN7O — CID 56909793

IUPAC(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1[nH]ncc1Cl)C2
InChIInChI=1S/C18H18ClN7O/c1-25(2)17-12-5-8-26(18(27)15-13(19)9-21-24-15)10-14(12)22-16(23-17)11-3-6-20-7-4-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,24)
InChIKeyXKOMUKGMCYKDOI-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.18
Rot. Bonds3

About (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56909793) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56909793
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1[nH]ncc1Cl)C2
InChIInChI=1S/C18H18ClN7O/c1-25(2)17-12-5-8-26(18(27)15-13(19)9-21-24-15)10-14(12)22-16(23-17)11-3-6-20-7-4-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,24)
InChIKeyXKOMUKGMCYKDOI-UHFFFAOYSA-N
XLogP2.18
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56909793) is (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1[nH]ncc1Cl)C2.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is XKOMUKGMCYKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-25(2)17-12-5-8-26(18(27)15-13(19)9-21-24-15)10-14(12)22-16(23-17)11-3-6-20-7-4-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,24).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 383.84 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56909793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).