1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide

C19H15Cl2N3O3 — CID 123575956

IUPAC1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2nccc3c2ccn3C(=O)c2c(Cl)cc(CO)cc2Cl)CC1
InChIInChI=1S/C19H15Cl2N3O3/c20-12-7-10(9-25)8-13(21)15(12)17(26)24-6-2-11-14(24)1-5-23-16(11)19(3-4-19)18(22)27/h1-2,5-8,25H,3-4,9H2,(H2,22,27)
InChIKeyGQUGAJRMAOSBEZ-UHFFFAOYSA-N
MW404.25 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide

1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide (PubChem CID 123575956) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide
PubChem CID123575956
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2nccc3c2ccn3C(=O)c2c(Cl)cc(CO)cc2Cl)CC1
InChIInChI=1S/C19H15Cl2N3O3/c20-12-7-10(9-25)8-13(21)15(12)17(26)24-6-2-11-14(24)1-5-23-16(11)19(3-4-19)18(22)27/h1-2,5-8,25H,3-4,9H2,(H2,22,27)
InChIKeyGQUGAJRMAOSBEZ-UHFFFAOYSA-N
XLogP3.04
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide (CID 123575956) is 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide is NC(=O)C1(c2nccc3c2ccn3C(=O)c2c(Cl)cc(CO)cc2Cl)CC1.
What is the InChIKey of 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is GQUGAJRMAOSBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c20-12-7-10(9-25)8-13(21)15(12)17(26)24-6-2-11-14(24)1-5-23-16(11)19(3-4-19)18(22)27/h1-2,5-8,25H,3-4,9H2,(H2,22,27).
What are the key properties of 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide?
1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 404.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,6-dichloro-4-(hydroxymethyl)benzoyl]pyrrolo[3,2-c]pyridin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123575956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).