N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide

C23H22FN5O — CID 99740977

IUPACN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H22FN5O/c24-17-9-7-15(8-10-17)20-13-22(28-27-20)29-11-3-5-18(14-29)25-23(30)21-12-16-4-1-2-6-19(16)26-21/h1-2,4,6-10,12-13,18,26H,3,5,11,14H2,(H,25,30)(H,27,28)/t18-/m1/s1
InChIKeyXGAKDBCBHWOEAI-GOSISDBHSA-N
MW403.46 g/mol
LogP4.10
Rot. Bonds4

About N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide

N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 99740977) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID99740977
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H22FN5O/c24-17-9-7-15(8-10-17)20-13-22(28-27-20)29-11-3-5-18(14-29)25-23(30)21-12-16-4-1-2-6-19(16)26-21/h1-2,4,6-10,12-13,18,26H,3,5,11,14H2,(H,25,30)(H,27,28)/t18-/m1/s1
InChIKeyXGAKDBCBHWOEAI-GOSISDBHSA-N
XLogP4.10
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide (CID 99740977) is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is XGAKDBCBHWOEAI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-17-9-7-15(8-10-17)20-13-22(28-27-20)29-11-3-5-18(14-29)25-23(30)21-12-16-4-1-2-6-19(16)26-21/h1-2,4,6-10,12-13,18,26H,3,5,11,14H2,(H,25,30)(H,27,28)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide?
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 99740977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).