4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one

C59H69Cl4N13O5 — CID 157089179

IUPAC4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(CO)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H18ClN3O.C16H20ClN3O.C14H16ClN3O2.C13H15ClN4O/c17-12-7-13(14-9-18-19-15(14)8-12)10-3-5-20(6-4-10)16(21)11-1-2-11;1-10(2)16(21)20-5-3-11(4-6-20)13-7-12(17)8-15-14(13)9-18-19-15;15-10-5-11(12-7-16-17-13(12)6-10)9-1-3-18(4-2-9)14(20)8-19;14-9-5-10(11-7-16-17-12(11)6-9)8-1-3-18(4-2-8)13(15)19/h7-11H,1-6H2,(H,18,19);7-11H,3-6H2,1-2H3,(H,18,19);5-7,9,19H,1-4,8H2,(H,16,17);5-8H,1-4H2,(H2,15,19)(H,16,17)
InChIKeyAELNAOMUPMUVJE-UHFFFAOYSA-N
MW1182.10 g/mol
LogP11.30
Rot. Bonds7

About 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one

4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 157089179) has the molecular formula C59H69Cl4N13O5 and a molecular weight of 1182.10 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID157089179
Molecular FormulaC59H69Cl4N13O5
Molecular Weight1182.10 g/mol
Exact Mass1179.43
IUPAC Name4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(CO)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H18ClN3O.C16H20ClN3O.C14H16ClN3O2.C13H15ClN4O/c17-12-7-13(14-9-18-19-15(14)8-12)10-3-5-20(6-4-10)16(21)11-1-2-11;1-10(2)16(21)20-5-3-11(4-6-20)13-7-12(17)8-15-14(13)9-18-19-15;15-10-5-11(12-7-16-17-13(12)6-10)9-1-3-18(4-2-9)14(20)8-19;14-9-5-10(11-7-16-17-12(11)6-9)8-1-3-18(4-2-8)13(15)19/h7-11H,1-6H2,(H,18,19);7-11H,3-6H2,1-2H3,(H,18,19);5-7,9,19H,1-4,8H2,(H,16,17);5-8H,1-4H2,(H2,15,19)(H,16,17)
InChIKeyAELNAOMUPMUVJE-UHFFFAOYSA-N
XLogP11.30
TPSA242.21 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms81
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.10
LogP ≤ 511.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 157089179) is 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(CO)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AELNAOMUPMUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.C16H20ClN3O.C14H16ClN3O2.C13H15ClN4O/c17-12-7-13(14-9-18-19-15(14)8-12)10-3-5-20(6-4-10)16(21)11-1-2-11;1-10(2)16(21)20-5-3-11(4-6-20)13-7-12(17)8-15-14(13)9-18-19-15;15-10-5-11(12-7-16-17-13(12)6-10)9-1-3-18(4-2-9)14(20)8-19;14-9-5-10(11-7-16-17-12(11)6-9)8-1-3-18(4-2-8)13(15)19/h7-11H,1-6H2,(H,18,19);7-11H,3-6H2,1-2H3,(H,18,19);5-7,9,19H,1-4,8H2,(H,16,17);5-8H,1-4H2,(H2,15,19)(H,16,17).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one?
4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 1182.10 g/mol, XLogP of 11.30, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 157089179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).