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

C23H23FN6O — CID 99741101

IUPACN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C23H23FN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27)/t17-/m1/s1
InChIKeyWBDUVVNENJSOER-QGZVFWFLSA-N
MW418.48 g/mol
LogP3.50
Rot. Bonds4

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

N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide (PubChem CID 99741101) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
PubChem CID99741101
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C23H23FN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27)/t17-/m1/s1
InChIKeyWBDUVVNENJSOER-QGZVFWFLSA-N
XLogP3.50
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide (CID 99741101) is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c2ccccc21.
What is the InChIKey of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
The InChIKey is WBDUVVNENJSOER-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 99741101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).