3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one

C27H30ClN5O4 — CID 166781700

IUPAC3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OCC2CN(C)CCO2)[nH]c2c1C(=O)NC1(CC1)C2
InChIInChI=1S/C27H30ClN5O4/c1-33-10-11-36-16(14-33)15-37-21-13-29-9-6-17(21)23-24(30-19-5-3-4-18(28)25(19)35-2)22-20(31-23)12-27(7-8-27)32-26(22)34/h3-6,9,13,16,30-31H,7-8,10-12,14-15H2,1-2H3,(H,32,34)
InChIKeyZSTWEAUDKDLUJU-UHFFFAOYSA-N
MW524.02 g/mol
LogP4.01
Rot. Bonds7

About 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one

3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one (PubChem CID 166781700) has the molecular formula C27H30ClN5O4 and a molecular weight of 524.02 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one
PubChem CID166781700
Molecular FormulaC27H30ClN5O4
Molecular Weight524.02 g/mol
Exact Mass523.20
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OCC2CN(C)CCO2)[nH]c2c1C(=O)NC1(CC1)C2
InChIInChI=1S/C27H30ClN5O4/c1-33-10-11-36-16(14-33)15-37-21-13-29-9-6-17(21)23-24(30-19-5-3-4-18(28)25(19)35-2)22-20(31-23)12-27(7-8-27)32-26(22)34/h3-6,9,13,16,30-31H,7-8,10-12,14-15H2,1-2H3,(H,32,34)
InChIKeyZSTWEAUDKDLUJU-UHFFFAOYSA-N
XLogP4.01
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one (CID 166781700) is 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2OCC2CN(C)CCO2)[nH]c2c1C(=O)NC1(CC1)C2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one?
The InChIKey is ZSTWEAUDKDLUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-33-10-11-36-16(14-33)15-37-21-13-29-9-6-17(21)23-24(30-19-5-3-4-18(28)25(19)35-2)22-20(31-23)12-27(7-8-27)32-26(22)34/h3-6,9,13,16,30-31H,7-8,10-12,14-15H2,1-2H3,(H,32,34).
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one?
3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one has a molecular weight of 524.02 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-[3-[(4-methylmorpholin-2-yl)methoxy]-4-pyridinyl]spiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 166781700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).