4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine

C26H27N9O — CID 86689878

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cn2cnc3cc(C(C)Nc4nccc(Nc5cc(C6CC6)[nH]n5)n4)ncc32)cc1
InChIInChI=1S/C26H27N9O/c1-16(30-26-27-10-9-24(32-26)31-25-12-21(33-34-25)18-5-6-18)20-11-22-23(13-28-20)35(15-29-22)14-17-3-7-19(36-2)8-4-17/h3-4,7-13,15-16,18H,5-6,14H2,1-2H3,(H3,27,30,31,32,33,34)
InChIKeyDMCBOIDYWJTMTG-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.80
Rot. Bonds9

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 86689878) has the molecular formula C26H27N9O and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID86689878
Molecular FormulaC26H27N9O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cn2cnc3cc(C(C)Nc4nccc(Nc5cc(C6CC6)[nH]n5)n4)ncc32)cc1
InChIInChI=1S/C26H27N9O/c1-16(30-26-27-10-9-24(32-26)31-25-12-21(33-34-25)18-5-6-18)20-11-22-23(13-28-20)35(15-29-22)14-17-3-7-19(36-2)8-4-17/h3-4,7-13,15-16,18H,5-6,14H2,1-2H3,(H3,27,30,31,32,33,34)
InChIKeyDMCBOIDYWJTMTG-UHFFFAOYSA-N
XLogP4.80
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-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 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine (CID 86689878) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine is COc1ccc(Cn2cnc3cc(C(C)Nc4nccc(Nc5cc(C6CC6)[nH]n5)n4)ncc32)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is DMCBOIDYWJTMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O/c1-16(30-26-27-10-9-24(32-26)31-25-12-21(33-34-25)18-5-6-18)20-11-22-23(13-28-20)35(15-29-22)14-17-3-7-19(36-2)8-4-17/h3-4,7-13,15-16,18H,5-6,14H2,1-2H3,(H3,27,30,31,32,33,34).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 481.56 g/mol, XLogP of 4.80, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 86689878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).