3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide

C26H29FN6O2 — CID 56591465

IUPAC3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCCn1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5c(F)cccc5OC)C4)cc23)cn1
InChIInChI=1S/C26H29FN6O2/c1-3-33-14-18(13-28-33)25-20-12-17(9-10-23(20)30-31-25)26(34)29-19-6-5-11-32(15-19)16-21-22(27)7-4-8-24(21)35-2/h4,7-10,12-14,19H,3,5-6,11,15-16H2,1-2H3,(H,29,34)(H,30,31)/t19-/m1/s1
InChIKeyMHBJURQCIAONJI-LJQANCHMSA-N
MW476.56 g/mol
LogP3.99
Rot. Bonds7

About 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide

3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 56591465) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID56591465
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCCn1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5c(F)cccc5OC)C4)cc23)cn1
InChIInChI=1S/C26H29FN6O2/c1-3-33-14-18(13-28-33)25-20-12-17(9-10-23(20)30-31-25)26(34)29-19-6-5-11-32(15-19)16-21-22(27)7-4-8-24(21)35-2/h4,7-10,12-14,19H,3,5-6,11,15-16H2,1-2H3,(H,29,34)(H,30,31)/t19-/m1/s1
InChIKeyMHBJURQCIAONJI-LJQANCHMSA-N
XLogP3.99
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (CID 56591465) is 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is CCn1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5c(F)cccc5OC)C4)cc23)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is MHBJURQCIAONJI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-3-33-14-18(13-28-33)25-20-12-17(9-10-23(20)30-31-25)26(34)29-19-6-5-11-32(15-19)16-21-22(27)7-4-8-24(21)35-2/h4,7-10,12-14,19H,3,5-6,11,15-16H2,1-2H3,(H,29,34)(H,30,31)/t19-/m1/s1.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).