4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one

C19H18Cl2N4O2 — CID 156635198

IUPAC4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2c(OC3CC3)nc(Cl)cc21
InChIInChI=1S/C19H18Cl2N4O2/c1-9(2)15-16(10(3)6-7-22-15)25-12-8-13(20)23-18(27-11-4-5-11)14(12)17(21)24-19(25)26/h6-9,11H,4-5H2,1-3H3
InChIKeySGODOTSKHXDZTK-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.46
Rot. Bonds4

About 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one

4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one (PubChem CID 156635198) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one
PubChem CID156635198
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2c(OC3CC3)nc(Cl)cc21
InChIInChI=1S/C19H18Cl2N4O2/c1-9(2)15-16(10(3)6-7-22-15)25-12-8-13(20)23-18(27-11-4-5-11)14(12)17(21)24-19(25)26/h6-9,11H,4-5H2,1-3H3
InChIKeySGODOTSKHXDZTK-UHFFFAOYSA-N
XLogP4.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one with MolForge

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Related Compounds

6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
CID 164523585
5-chloro-8-fluoro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione;5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 167573891
5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 165158840
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
tert-butyl 8-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523662
7-(2-cyclopropyloxy-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 167241784
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793
1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153278613
6-chloro-7-cyclopropyl-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292749
6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one
CID 175734707
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-(2,3,4,5-tetrafluoro-6-methoxyphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 169100164
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one (CID 156635198) is 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2c(OC3CC3)nc(Cl)cc21.
What is the InChIKey of 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is SGODOTSKHXDZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-9(2)15-16(10(3)6-7-22-15)25-12-8-13(20)23-18(27-11-4-5-11)14(12)17(21)24-19(25)26/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one?
4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 405.29 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 156635198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).