4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine

C27H24N8O — CID 121231410

IUPAC4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1
InChIInChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)
InChIKeyRQVLGMREYUFLPQ-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.59
Rot. Bonds6

About 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine

4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine (PubChem CID 121231410) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine
PubChem CID121231410
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1
InChIInChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)
InChIKeyRQVLGMREYUFLPQ-UHFFFAOYSA-N
XLogP5.59
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine (CID 121231410) is 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine is CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1.
What is the InChIKey of 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine?
The InChIKey is RQVLGMREYUFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33).
What are the key properties of 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine?
4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine has a molecular weight of 476.54 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[2-methyl-1-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxyphenyl]indol-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 121231410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).