3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide

C26H25FN4O4 — CID 163196288

IUPAC3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(C)O)cc(-c4cnn(C5CC5)c4)c3F)c2c1
InChIInChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34)
InChIKeyKKCORLIQMAQULG-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.79
Rot. Bonds7

About 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide

3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide (PubChem CID 163196288) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide
PubChem CID163196288
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(C)O)cc(-c4cnn(C5CC5)c4)c3F)c2c1
InChIInChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34)
InChIKeyKKCORLIQMAQULG-UHFFFAOYSA-N
XLogP4.79
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 141736367
3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
CID 162624721
3-acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyindolizine-1-carboxamide
CID 138377385
3-[(1-Acetyl-5-methoxyindole-3-carbonyl)amino]-5-(1-methylpyrazol-4-yl)benzoic acid
CID 145957310
3-Acetyl-N-(2,5-difluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyindolizine-1-carboxamide
CID 154631606
3-Acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methylindolizine-1-carboxamide
CID 154631615
3-Acetyl-N-(5-chloro-2-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyindolizine-1-carboxamide
CID 154631626
3-Acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-(methylamino)indolizine-1-carboxamide
CID 154631632
3-Acetyl-N-(2-fluoro-5-formyl-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyindolizine-1-carboxamide
CID 154631637
3-Acetyl-7-(aminomethyl)-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)indolizine-1-carboxamide
CID 154631644
3-Acetyl-7-ethyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)indolizine-1-carboxamide
CID 154631652
3-Acetyl-7-amino-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)indolizine-1-carboxamide
CID 154631660

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide?
The IUPAC name of 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide (CID 163196288) is 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide.
What is the SMILES notation for 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide?
The canonical SMILES for 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide is COc1ccn2c(C(C)=O)cc(C(=O)Nc3cc(C(C)O)cc(-c4cnn(C5CC5)c4)c3F)c2c1.
What is the InChIKey of 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide?
The InChIKey is KKCORLIQMAQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34).
What are the key properties of 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide?
3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phenyl]-7-methoxyindolizine-1-carboxamide is sourced from PubChem (CID 163196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).