N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C22H26FN5O — CID 118381227

IUPACN-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)[C@@H](F)C1
InChIInChI=1S/C22H26FN5O/c1-14(2)12-28-9-7-20(18(23)13-28)25-22(29)21-17-10-15(5-6-19(17)26-27-21)16-4-3-8-24-11-16/h3-6,8,10-11,14,18,20H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,27)/t18-,20+/m0/s1
InChIKeyJZBUIKSBAKGQBW-AZUAARDMSA-N
MW395.48 g/mol
LogP3.42
Rot. Bonds5

About N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381227) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381227
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)[C@@H](F)C1
InChIInChI=1S/C22H26FN5O/c1-14(2)12-28-9-7-20(18(23)13-28)25-22(29)21-17-10-15(5-6-19(17)26-27-21)16-4-3-8-24-11-16/h3-6,8,10-11,14,18,20H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,27)/t18-,20+/m0/s1
InChIKeyJZBUIKSBAKGQBW-AZUAARDMSA-N
XLogP3.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381227) is N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is CC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)[C@@H](F)C1.
What is the InChIKey of N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is JZBUIKSBAKGQBW-AZUAARDMSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14(2)12-28-9-7-20(18(23)13-28)25-22(29)21-17-10-15(5-6-19(17)26-27-21)16-4-3-8-24-11-16/h3-6,8,10-11,14,18,20H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,27)/t18-,20+/m0/s1.
What are the key properties of N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).