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

C20H14ClN3O — CID 15956398

IUPAC(2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccn2)n1
InChIInChI=1S/C20H14ClN3O/c21-12-7-8-16-13(10-12)20(19(25)24-16)11-14(20)15-5-3-6-18(23-15)17-4-1-2-9-22-17/h1-10,14H,11H2,(H,24,25)/t14-,20-/m1/s1
InChIKeyPVUDHAKHFHXHKR-JLTOFOAXSA-N
MW347.81 g/mol
LogP4.17
Rot. Bonds2

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

(2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956398) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956398
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name(2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccn2)n1
InChIInChI=1S/C20H14ClN3O/c21-12-7-8-16-13(10-12)20(19(25)24-16)11-14(20)15-5-3-6-18(23-15)17-4-1-2-9-22-17/h1-10,14H,11H2,(H,24,25)/t14-,20-/m1/s1
InChIKeyPVUDHAKHFHXHKR-JLTOFOAXSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956398) is (2'S,3S)-5-chloro-2'-(6-pyridin-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-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccn2)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is PVUDHAKHFHXHKR-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-12-7-8-16-13(10-12)20(19(25)24-16)11-14(20)15-5-3-6-18(23-15)17-4-1-2-9-22-17/h1-10,14H,11H2,(H,24,25)/t14-,20-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(6-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 347.81 g/mol, XLogP of 4.17, 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-pyridin-2-yl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).