4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide

C26H33ClN6O3 — CID 134373244

IUPAC4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccnc(N3CCOCC3)c2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C26H33ClN6O3/c1-26(2,24(34)21-14-19(27)13-17-16-29-31-23(17)21)18-4-7-33(8-5-18)25(35)30-20-3-6-28-22(15-20)32-9-11-36-12-10-32/h3,6,13-16,18,24,34H,4-5,7-12H2,1-2H3,(H,29,31)(H,28,30,35)
InChIKeyBNBCGSQMCLLRMW-UHFFFAOYSA-N
MW513.04 g/mol
LogP4.45
Rot. Bonds5

About 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 134373244) has the molecular formula C26H33ClN6O3 and a molecular weight of 513.04 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide
PubChem CID134373244
Molecular FormulaC26H33ClN6O3
Molecular Weight513.04 g/mol
Exact Mass512.23
IUPAC Name4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccnc(N3CCOCC3)c2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C26H33ClN6O3/c1-26(2,24(34)21-14-19(27)13-17-16-29-31-23(17)21)18-4-7-33(8-5-18)25(35)30-20-3-6-28-22(15-20)32-9-11-36-12-10-32/h3,6,13-16,18,24,34H,4-5,7-12H2,1-2H3,(H,29,31)(H,28,30,35)
InChIKeyBNBCGSQMCLLRMW-UHFFFAOYSA-N
XLogP4.45
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.04
LogP ≤ 54.45
H-Bond Donors ≤ 53
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]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide (CID 134373244) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccnc(N3CCOCC3)c2)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]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is BNBCGSQMCLLRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O3/c1-26(2,24(34)21-14-19(27)13-17-16-29-31-23(17)21)18-4-7-33(8-5-18)25(35)30-20-3-6-28-22(15-20)32-9-11-36-12-10-32/h3,6,13-16,18,24,34H,4-5,7-12H2,1-2H3,(H,29,31)(H,28,30,35).
What are the key properties of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide?
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 513.04 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 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]-N-(2-morpholin-4-yl-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).