2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one

C20H29ClN4O2 — CID 139528534

IUPAC2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H29ClN4O2/c1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyZOMPFFYMRSBRLJ-QGZVFWFLSA-N
MW392.93 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 139528534) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID139528534
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C20H29ClN4O2/c1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyZOMPFFYMRSBRLJ-QGZVFWFLSA-N
XLogP3.25
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
CID 134373446
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-sulfinyl-1,4-thiazinan-4-yl)methanone
CID 139532873
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone
CID 139532855
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyanomethyl)piperidine-1-carboxamide
CID 142311847
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N'-cyanopiperidine-1-carboximidamide
CID 134373530
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
CID 134373675
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
CID 134374103
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 134410293
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 134373824
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-carboxamide
CID 139528414

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 139528534) is 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZOMPFFYMRSBRLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 392.93 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 139528534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).