4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine

C23H15N7S — CID 145033595

IUPAC4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2nccc3[nH]c(-c4ncnc5cnc(-c6cccnc6)cc45)nc23)s1
InChIInChI=1S/C23H15N7S/c1-13-4-5-19(31-13)22-21-16(6-8-25-22)29-23(30-21)20-15-9-17(14-3-2-7-24-10-14)26-11-18(15)27-12-28-20/h2-12H,1H3,(H,29,30)
InChIKeyCYAWBARLPIOCIL-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.06
Rot. Bonds3

About 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine

4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine (PubChem CID 145033595) has the molecular formula C23H15N7S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine
PubChem CID145033595
Molecular FormulaC23H15N7S
Molecular Weight421.49 g/mol
Exact Mass421.11
IUPAC Name4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2nccc3[nH]c(-c4ncnc5cnc(-c6cccnc6)cc45)nc23)s1
InChIInChI=1S/C23H15N7S/c1-13-4-5-19(31-13)22-21-16(6-8-25-22)29-23(30-21)20-15-9-17(14-3-2-7-24-10-14)26-11-18(15)27-12-28-20/h2-12H,1H3,(H,29,30)
InChIKeyCYAWBARLPIOCIL-UHFFFAOYSA-N
XLogP5.06
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942394
2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136943680
4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136935471
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136936978
4-(5-methylthiophen-2-yl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936980
2,2-dimethyl-1-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol
CID 137232667
2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 136945013
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137055175
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019318
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308906
7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136600735
3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945744

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine (CID 145033595) is 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine is Cc1ccc(-c2nccc3[nH]c(-c4ncnc5cnc(-c6cccnc6)cc45)nc23)s1.
What is the InChIKey of 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The InChIKey is CYAWBARLPIOCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7S/c1-13-4-5-19(31-13)22-21-16(6-8-25-22)29-23(30-21)20-15-9-17(14-3-2-7-24-10-14)26-11-18(15)27-12-28-20/h2-12H,1H3,(H,29,30).
What are the key properties of 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine?
4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine has a molecular weight of 421.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 145033595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).