[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

C21H28ClN3O2 — CID 134373265

IUPAC[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-20(2,14-4-8-25(9-5-14)19(27)21(3)6-7-21)18(26)16-11-15(22)10-13-12-23-24-17(13)16/h10-12,14,18,26H,4-9H2,1-3H3,(H,23,24)
InChIKeyXFSDXVCRJVBSLH-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.31
Rot. Bonds4

About [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 134373265) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID134373265
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-20(2,14-4-8-25(9-5-14)19(27)21(3)6-7-21)18(26)16-11-15(22)10-13-12-23-24-17(13)16/h10-12,14,18,26H,4-9H2,1-3H3,(H,23,24)
InChIKeyXFSDXVCRJVBSLH-UHFFFAOYSA-N
XLogP4.31
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 134373265) is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.
What is the InChIKey of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is XFSDXVCRJVBSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-20(2,14-4-8-25(9-5-14)19(27)21(3)6-7-21)18(26)16-11-15(22)10-13-12-23-24-17(13)16/h10-12,14,18,26H,4-9H2,1-3H3,(H,23,24).
What are the key properties of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 389.93 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 134373265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).