4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole

C17H13ClN4 — CID 170547275

IUPAC4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole
SMILESCc1ccc(-n2c3ccccc3c3c(Cl)nc(C)nc32)nc1
InChIInChI=1S/C17H13ClN4/c1-10-7-8-14(19-9-10)22-13-6-4-3-5-12(13)15-16(18)20-11(2)21-17(15)22/h3-9H,1-2H3
InChIKeyYQOBBGFHZZPVCT-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.24
Rot. Bonds1

About 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole

4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole (PubChem CID 170547275) has the molecular formula C17H13ClN4 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole
PubChem CID170547275
Molecular FormulaC17H13ClN4
Molecular Weight308.77 g/mol
Exact Mass308.08
IUPAC Name4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole
SMILESCc1ccc(-n2c3ccccc3c3c(Cl)nc(C)nc32)nc1
InChIInChI=1S/C17H13ClN4/c1-10-7-8-14(19-9-10)22-13-6-4-3-5-12(13)15-16(18)20-11(2)21-17(15)22/h3-9H,1-2H3
InChIKeyYQOBBGFHZZPVCT-UHFFFAOYSA-N
XLogP4.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane
CID 158652282
2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
CID 140906280
(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
3-(5-methyl-2-pyridinyl)-2-pyridin-2-ylquinazolin-4-one
CID 102475909
5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)
CID 164838236
4-chloro-2-methyl-6-(9-phenylcarbazol-3-yl)-9H-pyrimido[4,5-b]indole
CID 138617984
N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)
CID 153421583
N-(2-chloro-4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112784018
3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3332007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole?
The IUPAC name of 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole (CID 170547275) is 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole.
What is the SMILES notation for 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole?
The canonical SMILES for 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole is Cc1ccc(-n2c3ccccc3c3c(Cl)nc(C)nc32)nc1.
What is the InChIKey of 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole?
The InChIKey is YQOBBGFHZZPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4/c1-10-7-8-14(19-9-10)22-13-6-4-3-5-12(13)15-16(18)20-11(2)21-17(15)22/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole?
4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole has a molecular weight of 308.77 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-9-(5-methyl-2-pyridinyl)pyrimido[4,5-b]indole is sourced from PubChem (CID 170547275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).