(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C20H16ClN3O — CID 15956396

IUPAC(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCn1cccc1-c1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C20H16ClN3O/c1-24-9-3-6-18(24)17-5-2-4-15(22-17)14-11-20(14)13-10-12(21)7-8-16(13)23-19(20)25/h2-10,14H,11H2,1H3,(H,23,25)/t14-,20-/m1/s1
InChIKeyAFYGZZHZCLFUPR-JLTOFOAXSA-N
MW349.82 g/mol
LogP4.12
Rot. Bonds2

About (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956396) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956396
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCn1cccc1-c1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C20H16ClN3O/c1-24-9-3-6-18(24)17-5-2-4-15(22-17)14-11-20(14)13-10-12(21)7-8-16(13)23-19(20)25/h2-10,14H,11H2,1H3,(H,23,25)/t14-,20-/m1/s1
InChIKeyAFYGZZHZCLFUPR-JLTOFOAXSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-Rhazinilam
CID 160263
3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327670
3-(2-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327715
3-(3,5-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327721
Rhazinilam
CID 11312435
5-chloro-3,3-bis(1H-indol-3-yl)-1H-indol-2-one
CID 2948971
3-[3-(2-aminoethyl)-1H-indol-1-yl]-4-(5-chloro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 44453397
3-(3-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327707
5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
CID 134821715
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
1-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]piperidine-4-carboxamide
CID 4619062
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956396) is (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is Cn1cccc1-c1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is AFYGZZHZCLFUPR-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-24-9-3-6-18(24)17-5-2-4-15(22-17)14-11-20(14)13-10-12(21)7-8-16(13)23-19(20)25/h2-10,14H,11H2,1H3,(H,23,25)/t14-,20-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 349.82 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).