4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide

C20H26ClFN4O2 — CID 134373553

IUPAC4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H26ClFN4O2/c1-20(2,12-5-7-26(8-6-12)19(28)24-13-3-4-13)18(27)15-16(22)14(21)9-11-10-23-25-17(11)15/h9-10,12-13,18,27H,3-8H2,1-2H3,(H,23,25)(H,24,28)/t18-/m1/s1
InChIKeyGUJDSXJLBJGITQ-GOSISDBHSA-N
MW408.91 g/mol
LogP4.00
Rot. Bonds4

About 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide

4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide (PubChem CID 134373553) has the molecular formula C20H26ClFN4O2 and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide
PubChem CID134373553
Molecular FormulaC20H26ClFN4O2
Molecular Weight408.91 g/mol
Exact Mass408.17
IUPAC Name4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H26ClFN4O2/c1-20(2,12-5-7-26(8-6-12)19(28)24-13-3-4-13)18(27)15-16(22)14(21)9-11-10-23-25-17(11)15/h9-10,12-13,18,27H,3-8H2,1-2H3,(H,23,25)(H,24,28)/t18-/m1/s1
InChIKeyGUJDSXJLBJGITQ-GOSISDBHSA-N
XLogP4.00
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide (CID 134373553) is 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide?
The InChIKey is GUJDSXJLBJGITQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26ClFN4O2/c1-20(2,12-5-7-26(8-6-12)19(28)24-13-3-4-13)18(27)15-16(22)14(21)9-11-10-23-25-17(11)15/h9-10,12-13,18,27H,3-8H2,1-2H3,(H,23,25)(H,24,28)/t18-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide is sourced from PubChem (CID 134373553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).