4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile

C27H19N9 — CID 157043846

IUPAC4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(C#N)cc56)cn4)nc3n2)ccn1
InChIInChI=1S/C27H19N9/c1-16-12-18(8-10-29-16)33-25-7-6-24-27(35-25)36-26(34-24)23-5-3-19(15-31-23)32-22-9-11-30-21-4-2-17(14-28)13-20(21)22/h2-13,15H,1H3,(H,30,32)(H2,29,33,34,35,36)
InChIKeyPJAYWSUBHXAKJX-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.63
Rot. Bonds5

About 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile

4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile (PubChem CID 157043846) has the molecular formula C27H19N9 and a molecular weight of 469.51 g/mol. Its IUPAC name is 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
PubChem CID157043846
Molecular FormulaC27H19N9
Molecular Weight469.51 g/mol
Exact Mass469.18
IUPAC Name4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(C#N)cc56)cn4)nc3n2)ccn1
InChIInChI=1S/C27H19N9/c1-16-12-18(8-10-29-16)33-25-7-6-24-27(35-25)36-26(34-24)23-5-3-19(15-31-23)32-22-9-11-30-21-4-2-17(14-28)13-20(21)22/h2-13,15H,1H3,(H,30,32)(H2,29,33,34,35,36)
InChIKeyPJAYWSUBHXAKJX-UHFFFAOYSA-N
XLogP5.63
TPSA128.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile?
The IUPAC name of 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile (CID 157043846) is 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile is Cc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(C#N)cc56)cn4)nc3n2)ccn1.
What is the InChIKey of 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile?
The InChIKey is PJAYWSUBHXAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N9/c1-16-12-18(8-10-29-16)33-25-7-6-24-27(35-25)36-26(34-24)23-5-3-19(15-31-23)32-22-9-11-30-21-4-2-17(14-28)13-20(21)22/h2-13,15H,1H3,(H,30,32)(H2,29,33,34,35,36).
What are the key properties of 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile?
4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile has a molecular weight of 469.51 g/mol, XLogP of 5.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).