(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile

C19H16N4O — CID 166034699

IUPAC(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
SMILESC[C@]1(C#N)C(=O)Nc2ccc(-c3cnc4c(c3)C3(CC3)CN4)cc21
InChIInChI=1S/C19H16N4O/c1-18(9-20)13-6-11(2-3-15(13)23-17(18)24)12-7-14-16(21-8-12)22-10-19(14)4-5-19/h2-3,6-8H,4-5,10H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyIEVUAOSBITXUOC-GOSISDBHSA-N
MW316.36 g/mol
LogP2.94
Rot. Bonds1

About (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile

(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile (PubChem CID 166034699) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
PubChem CID166034699
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
SMILESC[C@]1(C#N)C(=O)Nc2ccc(-c3cnc4c(c3)C3(CC3)CN4)cc21
InChIInChI=1S/C19H16N4O/c1-18(9-20)13-6-11(2-3-15(13)23-17(18)24)12-7-14-16(21-8-12)22-10-19(14)4-5-19/h2-3,6-8H,4-5,10H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyIEVUAOSBITXUOC-GOSISDBHSA-N
XLogP2.94
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile?
The IUPAC name of (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile (CID 166034699) is (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile.
What is the SMILES notation for (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile?
The canonical SMILES for (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile is C[C@]1(C#N)C(=O)Nc2ccc(-c3cnc4c(c3)C3(CC3)CN4)cc21.
What is the InChIKey of (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile?
The InChIKey is IEVUAOSBITXUOC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16N4O/c1-18(9-20)13-6-11(2-3-15(13)23-17(18)24)12-7-14-16(21-8-12)22-10-19(14)4-5-19/h2-3,6-8H,4-5,10H2,1H3,(H,21,22)(H,23,24)/t18-/m1/s1.
What are the key properties of (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile?
(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 166034699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).