1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol

C16H21ClN4O — CID 146516487

IUPAC1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
SMILESOC1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H21ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12,16,22H,1-7H2,(H,18,19)
InChIKeyQPXVZXKZCGPAGI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.60
Rot. Bonds2

About 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol

1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol (PubChem CID 146516487) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
PubChem CID146516487
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
SMILESOC1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H21ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12,16,22H,1-7H2,(H,18,19)
InChIKeyQPXVZXKZCGPAGI-UHFFFAOYSA-N
XLogP2.60
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
6-chloro-4-[4-(4-methylphenyl)piperidin-1-yl]-1H-indazole;S-methylthiohydroxylamine
CID 145075688
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121327101
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 121326722
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 121326664
1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol
CID 121326010

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol?
The IUPAC name of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol (CID 146516487) is 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol?
The canonical SMILES for 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol is OC1CCCN1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol?
The InChIKey is QPXVZXKZCGPAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c17-11-8-14-13(10-18-19-14)15(9-11)20-6-3-12(4-7-20)21-5-1-2-16(21)22/h8-10,12,16,22H,1-7H2,(H,18,19).
What are the key properties of 1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol?
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol has a molecular weight of 320.82 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-ol is sourced from PubChem (CID 146516487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).