4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one

C23H20ClN3O2 — CID 146451886

IUPAC4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one
SMILESCOc1cncc(-c2cc3cc(-c4ccn(CC5CC5)c(=O)c4)[nH]c3cc2Cl)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-18-6-17(11-25-12-18)19-7-16-8-21(26-22(16)10-20(19)24)15-4-5-27(23(28)9-15)13-14-2-3-14/h4-12,14,26H,2-3,13H2,1H3
InChIKeySFYOQXBHTLFMDH-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.13
Rot. Bonds5

About 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one

4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 146451886) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID146451886
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one
SMILESCOc1cncc(-c2cc3cc(-c4ccn(CC5CC5)c(=O)c4)[nH]c3cc2Cl)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-18-6-17(11-25-12-18)19-7-16-8-21(26-22(16)10-20(19)24)15-4-5-27(23(28)9-15)13-14-2-3-14/h4-12,14,26H,2-3,13H2,1H3
InChIKeySFYOQXBHTLFMDH-UHFFFAOYSA-N
XLogP5.13
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one (CID 146451886) is 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one is COc1cncc(-c2cc3cc(-c4ccn(CC5CC5)c(=O)c4)[nH]c3cc2Cl)c1.
What is the InChIKey of 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is SFYOQXBHTLFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-29-18-6-17(11-25-12-18)19-7-16-8-21(26-22(16)10-20(19)24)15-4-5-27(23(28)9-15)13-14-2-3-14/h4-12,14,26H,2-3,13H2,1H3.
What are the key properties of 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one?
4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one has a molecular weight of 405.89 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 146451886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).