1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

C32H35Cl2N9O — CID 158542394

IUPAC1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESClc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1.O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H16ClN5.C16H19ClN4O/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h1-4,9-11H,5-8H2,(H,19,20);8-10,12H,1-7H2,(H,18,19)
InChIKeyHOROARTUPOOJKR-UHFFFAOYSA-N
MW632.60 g/mol
LogP5.75
Rot. Bonds4

About 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole

1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (PubChem CID 158542394) has the molecular formula C32H35Cl2N9O and a molecular weight of 632.60 g/mol. Its IUPAC name is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
PubChem CID158542394
Molecular FormulaC32H35Cl2N9O
Molecular Weight632.60 g/mol
Exact Mass631.23
IUPAC Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
SMILESClc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1.O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H16ClN5.C16H19ClN4O/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h1-4,9-11H,5-8H2,(H,19,20);8-10,12H,1-7H2,(H,18,19)
InChIKeyHOROARTUPOOJKR-UHFFFAOYSA-N
XLogP5.75
TPSA100.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.60
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole with MolForge

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Related Compounds

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(3S,7S,8aS)-7-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461390
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CID 53661899
1-[3-(4-chlorophenyl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-ylethylamino)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 68462274
5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
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6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
CID 121326217
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2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 158720980

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole (CID 158542394) is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is Clc1cc(N2CCN(c3ccncc3)CC2)c2cn[nH]c2c1.O=C1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
The InChIKey is HOROARTUPOOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5.C16H19ClN4O/c17-12-9-15-14(11-19-20-15)16(10-12)22-7-5-21(6-8-22)13-1-3-18-4-2-13;17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h1-4,9-11H,5-8H2,(H,19,20);8-10,12H,1-7H2,(H,18,19).
What are the key properties of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole?
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole has a molecular weight of 632.60 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 158542394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).