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

C20H25FN6O — CID 139431529

IUPACN-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1
InChIInChI=1S/C20H25FN6O/c1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19/h3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t16-,18-/m0/s1
InChIKeyMRPXOWFCJVNWGC-WMZOPIPTSA-N
MW384.46 g/mol
LogP2.75
Rot. Bonds5

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

N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431529) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431529
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1
InChIInChI=1S/C20H25FN6O/c1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19/h3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t16-,18-/m0/s1
InChIKeyMRPXOWFCJVNWGC-WMZOPIPTSA-N
XLogP2.75
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431529) is N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[C@@H](F)C1.
What is the InChIKey of N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is MRPXOWFCJVNWGC-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19/h3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t16-,18-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).