3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C25H30ClN5O3 — CID 167071166

IUPAC3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OCCN(C)C)[nH]c2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C25H30ClN5O3/c1-25(2)13-18-20(24(32)30-25)22(28-17-8-6-7-16(26)23(17)33-5)21(29-18)15-9-10-27-14-19(15)34-12-11-31(3)4/h6-10,14,28-29H,11-13H2,1-5H3,(H,30,32)
InChIKeyDBELQNXELIUIAR-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.49
Rot. Bonds8

About 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 167071166) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID167071166
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OCCN(C)C)[nH]c2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C25H30ClN5O3/c1-25(2)13-18-20(24(32)30-25)22(28-17-8-6-7-16(26)23(17)33-5)21(29-18)15-9-10-27-14-19(15)34-12-11-31(3)4/h6-10,14,28-29H,11-13H2,1-5H3,(H,30,32)
InChIKeyDBELQNXELIUIAR-UHFFFAOYSA-N
XLogP4.49
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 167071166) is 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2OCCN(C)C)[nH]c2c1C(=O)NC(C)(C)C2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DBELQNXELIUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-25(2)13-18-20(24(32)30-25)22(28-17-8-6-7-16(26)23(17)33-5)21(29-18)15-9-10-27-14-19(15)34-12-11-31(3)4/h6-10,14,28-29H,11-13H2,1-5H3,(H,30,32).
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 484.00 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 167071166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).