6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile

C23H18ClN7 — CID 164538913

IUPAC6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
SMILESCc1nn(C)c2ccc(Nc3cc(C#N)nc(Nc4cc(Cl)c5cc[nH]c5c4)c3)cc12
InChIInChI=1S/C23H18ClN7/c1-13-19-8-14(3-4-22(19)31(2)30-13)27-15-7-17(12-25)29-23(11-15)28-16-9-20(24)18-5-6-26-21(18)10-16/h3-11,26H,1-2H3,(H2,27,28,29)
InChIKeyPBUFHFGSPCYFBB-UHFFFAOYSA-N
MW427.90 g/mol
LogP5.77
Rot. Bonds4

About 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile

6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile (PubChem CID 164538913) has the molecular formula C23H18ClN7 and a molecular weight of 427.90 g/mol. Its IUPAC name is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
PubChem CID164538913
Molecular FormulaC23H18ClN7
Molecular Weight427.90 g/mol
Exact Mass427.13
IUPAC Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
SMILESCc1nn(C)c2ccc(Nc3cc(C#N)nc(Nc4cc(Cl)c5cc[nH]c5c4)c3)cc12
InChIInChI=1S/C23H18ClN7/c1-13-19-8-14(3-4-22(19)31(2)30-13)27-15-7-17(12-25)29-23(11-15)28-16-9-20(24)18-5-6-26-21(18)10-16/h3-11,26H,1-2H3,(H2,27,28,29)
InChIKeyPBUFHFGSPCYFBB-UHFFFAOYSA-N
XLogP5.77
TPSA94.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.90
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[(4-chloro-1H-indol-6-yl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carbonitrile
CID 164538841
6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
CID 164538848
6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 164538891
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
CID 155746684
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
CID 171850799
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850814
3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117369283
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
CID 171850874
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850779

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile (CID 164538913) is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile is Cc1nn(C)c2ccc(Nc3cc(C#N)nc(Nc4cc(Cl)c5cc[nH]c5c4)c3)cc12.
What is the InChIKey of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PBUFHFGSPCYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7/c1-13-19-8-14(3-4-22(19)31(2)30-13)27-15-7-17(12-25)29-23(11-15)28-16-9-20(24)18-5-6-26-21(18)10-16/h3-11,26H,1-2H3,(H2,27,28,29).
What are the key properties of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile?
6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile has a molecular weight of 427.90 g/mol, XLogP of 5.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 164538913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).