1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile

C23H26N4 — CID 141298703

IUPAC1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3N=CC=CN3[C@@H](C)C3CC3)n(C3CCC3)c2c1
InChIInChI=1S/C23H26N4/c1-15-7-10-19-20(14-24)22(27(21(19)13-15)18-5-3-6-18)23-25-11-4-12-26(23)16(2)17-8-9-17/h4,7,10-13,16-18,23H,3,5-6,8-9H2,1-2H3/t16-,23?/m0/s1
InChIKeySZTCZJAVFVVDGK-GZWBLTSWSA-N
MW358.49 g/mol
LogP5.24
Rot. Bonds4

About 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile

1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile (PubChem CID 141298703) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
PubChem CID141298703
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(C3N=CC=CN3[C@@H](C)C3CC3)n(C3CCC3)c2c1
InChIInChI=1S/C23H26N4/c1-15-7-10-19-20(14-24)22(27(21(19)13-15)18-5-3-6-18)23-25-11-4-12-26(23)16(2)17-8-9-17/h4,7,10-13,16-18,23H,3,5-6,8-9H2,1-2H3/t16-,23?/m0/s1
InChIKeySZTCZJAVFVVDGK-GZWBLTSWSA-N
XLogP5.24
TPSA44.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile
CID 141298512
1-cyclopentyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298631
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298648
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methylindole-3-carbonitrile
CID 141298601
6-chloro-1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 141298716
6-chloro-1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 141298506
1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3,5-dicarbonitrile
CID 141298763
1-cyclobutyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-methoxyindole-3-carbonitrile
CID 141298540
1-cyclopentyl-2-[1-(1,3-difluoropropan-2-yl)-2H-pyrimidin-2-yl]-5-fluoroindole-3-carbonitrile
CID 141298745
1-(cyclopropylmethyl)-5-methyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 161178884
6-chloro-1-(cyclopropylmethyl)-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyrimidin-2-yl]indole-3-carbonitrile
CID 158214745
2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
CID 66798548

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile (CID 141298703) is 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile is Cc1ccc2c(C#N)c(C3N=CC=CN3[C@@H](C)C3CC3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
The InChIKey is SZTCZJAVFVVDGK-GZWBLTSWSA-N. The full InChI is InChI=1S/C23H26N4/c1-15-7-10-19-20(14-24)22(27(21(19)13-15)18-5-3-6-18)23-25-11-4-12-26(23)16(2)17-8-9-17/h4,7,10-13,16-18,23H,3,5-6,8-9H2,1-2H3/t16-,23?/m0/s1.
What are the key properties of 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile?
1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile has a molecular weight of 358.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[1-[(1S)-1-cyclopropylethyl]-2H-pyrimidin-2-yl]-6-methylindole-3-carbonitrile is sourced from PubChem (CID 141298703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).