N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide

C25H25ClN4O4 — CID 140914649

IUPACN-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O4/c1-34-23-8-18(14-31)20(10-21(23)26)22-13-30-7-6-17(9-24(30)29-22)15-2-4-16(5-3-15)25(33)28-12-19(32)11-27/h2-10,13,19,31-32H,11-12,14,27H2,1H3,(H,28,33)
InChIKeyATMYDYSAZBREQY-UHFFFAOYSA-N
MW480.95 g/mol
LogP2.87
Rot. Bonds8

About N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide

N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide (PubChem CID 140914649) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
PubChem CID140914649
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O4/c1-34-23-8-18(14-31)20(10-21(23)26)22-13-30-7-6-17(9-24(30)29-22)15-2-4-16(5-3-15)25(33)28-12-19(32)11-27/h2-10,13,19,31-32H,11-12,14,27H2,1H3,(H,28,33)
InChIKeyATMYDYSAZBREQY-UHFFFAOYSA-N
XLogP2.87
TPSA122.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide (CID 140914649) is N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide is COc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The InChIKey is ATMYDYSAZBREQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-34-23-8-18(14-31)20(10-21(23)26)22-13-30-7-6-17(9-24(30)29-22)15-2-4-16(5-3-15)25(33)28-12-19(32)11-27/h2-10,13,19,31-32H,11-12,14,27H2,1H3,(H,28,33).
What are the key properties of N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide has a molecular weight of 480.95 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 140914649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).