10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one

C22H18FN3O2 — CID 142469540

IUPAC10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one
SMILESCOc1ccc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2
InChIInChI=1S/C22H18FN3O2/c1-26-21(27)20-15(5-8-19(25-20)28-2)16-11-13(14-4-7-18(23)24-12-14)3-6-17(16)22(26)9-10-22/h3-8,11-12H,9-10H2,1-2H3
InChIKeySDOAZYAZKGQRRD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.03
Rot. Bonds2

About 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one

10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one (PubChem CID 142469540) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one.

Molecular Properties

Compound Name10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one
PubChem CID142469540
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one
SMILESCOc1ccc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2
InChIInChI=1S/C22H18FN3O2/c1-26-21(27)20-15(5-8-19(25-20)28-2)16-11-13(14-4-7-18(23)24-12-14)3-6-17(16)22(26)9-10-22/h3-8,11-12H,9-10H2,1-2H3
InChIKeySDOAZYAZKGQRRD-UHFFFAOYSA-N
XLogP4.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one?
The IUPAC name of 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one (CID 142469540) is 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one.
What is the SMILES notation for 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one?
The canonical SMILES for 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one is COc1ccc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2.
What is the InChIKey of 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one?
The InChIKey is SDOAZYAZKGQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-26-21(27)20-15(5-8-19(25-20)28-2)16-11-13(14-4-7-18(23)24-12-14)3-6-17(16)22(26)9-10-22/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one?
10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one has a molecular weight of 375.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(6-fluoro-3-pyridinyl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one is sourced from PubChem (CID 142469540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).