8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

C25H29N7O — CID 73387066

IUPAC8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1
InChIInChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)
InChIKeyMNBYYPQDBOJYDG-UHFFFAOYSA-N
MW443.56 g/mol
LogP5.17
Rot. Bonds7

About 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73387066) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73387066
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1
InChIInChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)
InChIKeyMNBYYPQDBOJYDG-UHFFFAOYSA-N
XLogP5.17
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73387066) is 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1.
What is the InChIKey of 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is MNBYYPQDBOJYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31).
What are the key properties of 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 443.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73387066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).