8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C20H20ClN5O — CID 118730680

IUPAC8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3[nH]ncc3c1)CC2
InChIInChI=1S/C20H20ClN5O/c21-16-12-22-11-15(13-1-2-17-14(9-13)10-24-25-17)18(16)26-7-4-20(5-8-26)3-6-23-19(20)27/h1-2,9-12H,3-8H2,(H,23,27)(H,24,25)
InChIKeyDLTXCYSLIIKVRM-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.38
Rot. Bonds2

About 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730680) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730680
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3[nH]ncc3c1)CC2
InChIInChI=1S/C20H20ClN5O/c21-16-12-22-11-15(13-1-2-17-14(9-13)10-24-25-17)18(16)26-7-4-20(5-8-26)3-6-23-19(20)27/h1-2,9-12H,3-8H2,(H,23,27)(H,24,25)
InChIKeyDLTXCYSLIIKVRM-UHFFFAOYSA-N
XLogP3.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

Cct251545
CID 77050682
8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 74222277
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
8-[3-(3-Azanyl-2~{h}-Indazol-6-Yl)-5-Chloranyl-Pyridin-4-Yl]-2,8-Diazaspiro[4.5]decan-1-One
CID 117072459
1-(4-{[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135469498
JH-Xvi-178
CID 156445498
N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
CID 156027238
4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11698163
2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
2-tert-butyl-1'-(3-chloro-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292554
QL-Xii-46
CID 73776208

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730680) is 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3[nH]ncc3c1)CC2.
What is the InChIKey of 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DLTXCYSLIIKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-12-22-11-15(13-1-2-17-14(9-13)10-24-25-17)18(16)26-7-4-20(5-8-26)3-6-23-19(20)27/h1-2,9-12H,3-8H2,(H,23,27)(H,24,25).
What are the key properties of 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 381.87 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).