N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide

C17H23FN4O — CID 167768916

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide
SMILESCC(C)Cc1[nH]nc2ccc(C(=O)NC[C@@H]3C[C@H](F)CN3)cc12
InChIInChI=1S/C17H23FN4O/c1-10(2)5-16-14-6-11(3-4-15(14)21-22-16)17(23)20-9-13-7-12(18)8-19-13/h3-4,6,10,12-13,19H,5,7-9H2,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m0/s1
InChIKeyAARBKEPWJORANX-STQMWFEESA-N
MW318.40 g/mol
LogP2.19
Rot. Bonds5

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide (PubChem CID 167768916) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide
PubChem CID167768916
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide
SMILESCC(C)Cc1[nH]nc2ccc(C(=O)NC[C@@H]3C[C@H](F)CN3)cc12
InChIInChI=1S/C17H23FN4O/c1-10(2)5-16-14-6-11(3-4-15(14)21-22-16)17(23)20-9-13-7-12(18)8-19-13/h3-4,6,10,12-13,19H,5,7-9H2,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m0/s1
InChIKeyAARBKEPWJORANX-STQMWFEESA-N
XLogP2.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide (CID 167768916) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide is CC(C)Cc1[nH]nc2ccc(C(=O)NC[C@@H]3C[C@H](F)CN3)cc12.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
The InChIKey is AARBKEPWJORANX-STQMWFEESA-N. The full InChI is InChI=1S/C17H23FN4O/c1-10(2)5-16-14-6-11(3-4-15(14)21-22-16)17(23)20-9-13-7-12(18)8-19-13/h3-4,6,10,12-13,19H,5,7-9H2,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 167768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).