6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile

C20H17N5OS — CID 171850799

IUPAC6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
SMILESCc1ncc(CCOc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)s1
InChIInChI=1S/C20H17N5OS/c1-13-23-12-18(27-13)5-7-26-17-8-16(11-21)25-20(10-17)24-15-3-2-14-4-6-22-19(14)9-15/h2-4,6,8-10,12,22H,5,7H2,1H3,(H,24,25)
InChIKeyYCMSEGMJGQJPOH-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.56
Rot. Bonds6

About 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile

6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile (PubChem CID 171850799) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
PubChem CID171850799
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
SMILESCc1ncc(CCOc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)s1
InChIInChI=1S/C20H17N5OS/c1-13-23-12-18(27-13)5-7-26-17-8-16(11-21)25-20(10-17)24-15-3-2-14-4-6-22-19(14)9-15/h2-4,6,8-10,12,22H,5,7H2,1H3,(H,24,25)
InChIKeyYCMSEGMJGQJPOH-UHFFFAOYSA-N
XLogP4.56
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
CID 171850947
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
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
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-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
N-[2-[5-[[2-cyano-6-(1H-indol-6-ylamino)-4-pyridinyl]amino]-3-pyridinyl]propyl]-6-(1H-indol-6-ylamino)-4-[[6-(trifluoromethoxy)-3-pyridinyl]amino]pyridine-2-carbonitrilium
CID 164538895

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile (CID 171850799) is 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile is Cc1ncc(CCOc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)s1.
What is the InChIKey of 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile?
The InChIKey is YCMSEGMJGQJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-13-23-12-18(27-13)5-7-26-17-8-16(11-21)25-20(10-17)24-15-3-2-14-4-6-22-19(14)9-15/h2-4,6,8-10,12,22H,5,7H2,1H3,(H,24,25).
What are the key properties of 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile?
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile has a molecular weight of 375.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).