N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C69H66F3N15O6 — CID 159681739

IUPACN-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H22FN5O2/c3*1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3*3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)
InChIKeyMVHDEHKKIMGNIR-UHFFFAOYSA-N
MW1258.38 g/mol
LogP10.74
Rot. Bonds15

About N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 159681739) has the molecular formula C69H66F3N15O6 and a molecular weight of 1258.38 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID159681739
Molecular FormulaC69H66F3N15O6
Molecular Weight1258.38 g/mol
Exact Mass1257.53
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H22FN5O2/c3*1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3*3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)
InChIKeyMVHDEHKKIMGNIR-UHFFFAOYSA-N
XLogP10.74
TPSA253.35 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001258.38
LogP ≤ 510.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Related Compounds

US10138241, Example 81-1
CID 134328444
US10138241, Example 71
CID 134328446
US10138241, Example 81-2
CID 134328464
US10138241, Example 56
CID 134328465
US10138241, Example 75
CID 134328489
US10138241, Example 73
CID 134328509
US10138241, Example 72
CID 134328584
US10138241, Example 82-1
CID 134328604
US10138241, Example 82-2
CID 134328605
N-cyclopropyl-2-fluoro-4-[6-[2-(hydroxymethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67972844
N-[6-(1-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408575
4-[4-[4-[5-[[3-[[4-[4-[4-[5-[(4-Fluorophenyl)-hydroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide
CID 123843477

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 159681739) is N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is MVHDEHKKIMGNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H22FN5O2/c3*1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3*3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1258.38 g/mol, XLogP of 10.74, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 159681739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).