N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide

C24H25N5O2 — CID 99741441

IUPACN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc5[nH]ccc45)C3)n[nH]2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-18-9-7-16(8-10-18)22-14-23(28-27-22)29-13-3-4-17(15-29)26-24(30)20-5-2-6-21-19(20)11-12-25-21/h2,5-12,14,17,25H,3-4,13,15H2,1H3,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyKLGFBXXOAKIXCH-QGZVFWFLSA-N
MW415.50 g/mol
LogP3.97
Rot. Bonds5

About N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide

N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide (PubChem CID 99741441) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide
PubChem CID99741441
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc5[nH]ccc45)C3)n[nH]2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-18-9-7-16(8-10-18)22-14-23(28-27-22)29-13-3-4-17(15-29)26-24(30)20-5-2-6-21-19(20)11-12-25-21/h2,5-12,14,17,25H,3-4,13,15H2,1H3,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyKLGFBXXOAKIXCH-QGZVFWFLSA-N
XLogP3.97
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide (CID 99741441) is N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide is COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc5[nH]ccc45)C3)n[nH]2)cc1.
What is the InChIKey of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide?
The InChIKey is KLGFBXXOAKIXCH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-18-9-7-16(8-10-18)22-14-23(28-27-22)29-13-3-4-17(15-29)26-24(30)20-5-2-6-21-19(20)11-12-25-21/h2,5-12,14,17,25H,3-4,13,15H2,1H3,(H,26,30)(H,27,28)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide?
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 99741441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).