N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C31H30N6 — CID 139973556

IUPACN-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2Nc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H30N6/c1-22-32-20-27-28(17-18-36(2)31(27)33-22)34-26-15-13-23(14-16-26)21-37-30(25-11-7-4-8-12-25)19-29(35-37)24-9-5-3-6-10-24/h3-16,19-20,28,34H,17-18,21H2,1-2H3
InChIKeyXWFOUGZMFUSBNL-UHFFFAOYSA-N
MW486.62 g/mol
LogP6.36
Rot. Bonds6

About N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973556) has the molecular formula C31H30N6 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973556
Molecular FormulaC31H30N6
Molecular Weight486.62 g/mol
Exact Mass486.25
IUPAC NameN-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2Nc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H30N6/c1-22-32-20-27-28(17-18-36(2)31(27)33-22)34-26-15-13-23(14-16-26)21-37-30(25-11-7-4-8-12-25)19-29(35-37)24-9-5-3-6-10-24/h3-16,19-20,28,34H,17-18,21H2,1-2H3
InChIKeyXWFOUGZMFUSBNL-UHFFFAOYSA-N
XLogP6.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973674
N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973571
8-[2-(1-benzylpiperidin-4-yl)ethyl]-N-[3-(3-chlorophenoxy)phenyl]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973709
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
2,9-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973865
3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid
CID 23157594
1-ethyl-3,5-diphenylpyrazole
CID 12665793
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
CID 66015304
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
CID 139973712
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
CID 59007278
3-(1-benzyl-5-phenylpyrazol-3-yl)-4-(2-methylpropoxy)benzoic acid
CID 110076737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973556) is N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)N(C)CCC2Nc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is XWFOUGZMFUSBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6/c1-22-32-20-27-28(17-18-36(2)31(27)33-22)34-26-15-13-23(14-16-26)21-37-30(25-11-7-4-8-12-25)19-29(35-37)24-9-5-3-6-10-24/h3-16,19-20,28,34H,17-18,21H2,1-2H3.
What are the key properties of N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 486.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).