tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane

C72H81N15O6 — CID 158969124

IUPACtris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane
SMILESC.C.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H23N5O2.3CH4/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;;;/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30);3*1H4
InChIKeyJNORIPXEKJKEHG-UHFFFAOYSA-N
MW1252.54 g/mol
LogP12.23
Rot. Bonds15

About tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane

tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane (PubChem CID 158969124) has the molecular formula C72H81N15O6 and a molecular weight of 1252.54 g/mol. Its IUPAC name is tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane.

Molecular Properties

Compound Nametris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane
PubChem CID158969124
Molecular FormulaC72H81N15O6
Molecular Weight1252.54 g/mol
Exact Mass1251.65
IUPAC Nametris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane
SMILESC.C.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H23N5O2.3CH4/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;;;/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30);3*1H4
InChIKeyJNORIPXEKJKEHG-UHFFFAOYSA-N
XLogP12.23
TPSA253.35 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001252.54
LogP ≤ 512.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane?
The IUPAC name of tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane (CID 158969124) is tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane.
What is the SMILES notation for tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane?
The canonical SMILES for tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane is C.C.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.
What is the InChIKey of tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane?
The InChIKey is JNORIPXEKJKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23N5O2.3CH4/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;;;/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30);3*1H4.
What are the key properties of tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane?
tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane has a molecular weight of 1252.54 g/mol, XLogP of 12.23, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide);methane is sourced from PubChem (CID 158969124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).