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

C17H13Cl2N5O — CID 90407576

IUPAC(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1
InChIInChI=1S/C17H13Cl2N5O/c18-12-3-1-2-11(15(12)19)17(25)24-7-5-10-14(8-24)20-9-21-16(10)13-4-6-22-23-13/h1-4,6,9H,5,7-8H2,(H,22,23)
InChIKeyNTUQVIQEPHGASW-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.37
Rot. Bonds2

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

(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 90407576) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID90407576
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1
InChIInChI=1S/C17H13Cl2N5O/c18-12-3-1-2-11(15(12)19)17(25)24-7-5-10-14(8-24)20-9-21-16(10)13-4-6-22-23-13/h1-4,6,9H,5,7-8H2,(H,22,23)
InChIKeyNTUQVIQEPHGASW-UHFFFAOYSA-N
XLogP3.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 90407576) is (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccn[nH]2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is NTUQVIQEPHGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-12-3-1-2-11(15(12)19)17(25)24-7-5-10-14(8-24)20-9-21-16(10)13-4-6-22-23-13/h1-4,6,9H,5,7-8H2,(H,22,23).
What are the key properties of (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 374.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 90407576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).