[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

C26H32ClN5O3 — CID 134373728

IUPAC[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C26H32ClN5O3/c1-26(2,24(33)21-14-20(27)13-18-16-29-30-23(18)21)19-5-7-32(8-6-19)25(34)17-3-4-22(28-15-17)31-9-11-35-12-10-31/h3-4,13-16,19,24,33H,5-12H2,1-2H3,(H,29,30)
InChIKeyJQTRWVCITSZFTN-UHFFFAOYSA-N
MW498.03 g/mol
LogP4.06
Rot. Bonds5

About [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 134373728) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID134373728
Molecular FormulaC26H32ClN5O3
Molecular Weight498.03 g/mol
Exact Mass497.22
IUPAC Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C26H32ClN5O3/c1-26(2,24(33)21-14-20(27)13-18-16-29-30-23(18)21)19-5-7-32(8-6-19)25(34)17-3-4-22(28-15-17)31-9-11-35-12-10-31/h3-4,13-16,19,24,33H,5-12H2,1-2H3,(H,29,30)
InChIKeyJQTRWVCITSZFTN-UHFFFAOYSA-N
XLogP4.06
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 134373728) is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is CC(C)(C1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is JQTRWVCITSZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3/c1-26(2,24(33)21-14-20(27)13-18-16-29-30-23(18)21)19-5-7-32(8-6-19)25(34)17-3-4-22(28-15-17)31-9-11-35-12-10-31/h3-4,13-16,19,24,33H,5-12H2,1-2H3,(H,29,30).
What are the key properties of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 498.03 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 134373728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).