1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine

C25H29ClFN7O — CID 66708846

IUPAC1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(N2C3=C(CN(C)CC3c3ccc(F)cc3)C(N)N(C)C2N)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C25H29ClFN7O/c1-31-11-18(15-4-6-16(27)7-5-15)23-19(12-31)24(28)32(2)25(29)34(23)17-8-9-20(21(10-17)35-3)33-13-22(26)30-14-33/h4-10,13-14,18,24-25H,11-12,28-29H2,1-3H3
InChIKeyUXQPZFGZDWNGOQ-UHFFFAOYSA-N
MW498.01 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine

1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 66708846) has the molecular formula C25H29ClFN7O and a molecular weight of 498.01 g/mol. Its IUPAC name is 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID66708846
Molecular FormulaC25H29ClFN7O
Molecular Weight498.01 g/mol
Exact Mass497.21
IUPAC Name1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(N2C3=C(CN(C)CC3c3ccc(F)cc3)C(N)N(C)C2N)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C25H29ClFN7O/c1-31-11-18(15-4-6-16(27)7-5-15)23-19(12-31)24(28)32(2)25(29)34(23)17-8-9-20(21(10-17)35-3)33-13-22(26)30-14-33/h4-10,13-14,18,24-25H,11-12,28-29H2,1-3H3
InChIKeyUXQPZFGZDWNGOQ-UHFFFAOYSA-N
XLogP2.94
TPSA88.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-6-cyclopropylsulfonyl-3-methyl-8-phenyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 66709066
(6S,7R)-2-[4-(4-chloroimidazol-1-yl)-3-methoxyanilino]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine-6,7-diol;2,2,2-trifluoroacetic acid
CID 162315184
5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-(4-fluorophenyl)-4-N-(trideuteriomethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 87119372
4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
2-[4-(4-chloroimidazol-1-yl)-3-methoxyanilino]-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 58109997
(8S)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 58075460
(8R)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 58075797
2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-7-N,7-N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine-2,7-diamine
CID 58110141
5-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 172773725
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine;2,2,2-trifluoroacetic acid
CID 46864764
2-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-ethylimino-8-(4-fluorophenyl)-1,3,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-amine
CID 172754404
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(2-ethylpyrrolidin-1-yl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 50914084

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 66708846) is 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine is COc1cc(N2C3=C(CN(C)CC3c3ccc(F)cc3)C(N)N(C)C2N)ccc1-n1cnc(Cl)c1.
What is the InChIKey of 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is UXQPZFGZDWNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN7O/c1-31-11-18(15-4-6-16(27)7-5-15)23-19(12-31)24(28)32(2)25(29)34(23)17-8-9-20(21(10-17)35-3)33-13-22(26)30-14-33/h4-10,13-14,18,24-25H,11-12,28-29H2,1-3H3.
What are the key properties of 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine?
1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 498.01 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-3,6-dimethyl-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 66708846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).