2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile

C22H15N7 — CID 167203057

IUPAC2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
SMILESC=Cc1cc2ccc(-c3ncc(C#N)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C22H15N7/c1-2-17-7-13-3-4-14(9-20(13)26-17)21-24-11-16(10-23)22(28-21)27-18-5-6-19-15(8-18)12-25-29-19/h2-9,11-12,26H,1H2,(H,25,29)(H,24,27,28)
InChIKeyOWJVEKSPFSQPDK-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.76
Rot. Bonds4

About 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile

2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile (PubChem CID 167203057) has the molecular formula C22H15N7 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
PubChem CID167203057
Molecular FormulaC22H15N7
Molecular Weight377.41 g/mol
Exact Mass377.14
IUPAC Name2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
SMILESC=Cc1cc2ccc(-c3ncc(C#N)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C22H15N7/c1-2-17-7-13-3-4-14(9-20(13)26-17)21-24-11-16(10-23)22(28-21)27-18-5-6-19-15(8-18)12-25-29-19/h2-9,11-12,26H,1H2,(H,25,29)(H,24,27,28)
InChIKeyOWJVEKSPFSQPDK-UHFFFAOYSA-N
XLogP4.76
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 170994334
N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
CID 166920660
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137370324
N-[2-[2-[1-[(6-methylpyridazin-4-yl)amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167203032
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
(1E,3Z)-2-N-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]methyl]buta-1,3-diene-1,2,4-triamine
CID 137382051
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
CID 153252153
3-(1H-indazol-5-ylamino)-1-methyl-5-(2-methyl-1H-indol-6-yl)pyrazin-2-one
CID 167202737

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile (CID 167203057) is 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile is C=Cc1cc2ccc(-c3ncc(C#N)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.
What is the InChIKey of 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is OWJVEKSPFSQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7/c1-2-17-7-13-3-4-14(9-20(13)26-17)21-24-11-16(10-23)22(28-21)27-18-5-6-19-15(8-18)12-25-29-19/h2-9,11-12,26H,1H2,(H,25,29)(H,24,27,28).
What are the key properties of 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile?
2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 377.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-1H-indol-6-yl)-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 167203057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).