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

C21H22ClN5O — CID 162649003

IUPAC8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2c(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cccc21
InChIInChI=1S/C21H22ClN5O/c1-26-18-4-2-3-14(15(18)12-25-26)16-11-23-13-17(22)19(16)27-9-6-21(7-10-27)5-8-24-20(21)28/h2-4,11-13H,5-10H2,1H3,(H,24,28)
InChIKeyZKPABWDXOCYJNO-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.40
Rot. Bonds2

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

8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162649003) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162649003
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2c(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cccc21
InChIInChI=1S/C21H22ClN5O/c1-26-18-4-2-3-14(15(18)12-25-26)16-11-23-13-17(22)19(16)27-9-6-21(7-10-27)5-8-24-20(21)28/h2-4,11-13H,5-10H2,1H3,(H,24,28)
InChIKeyZKPABWDXOCYJNO-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
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4-(5-chloropyridin-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206134
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-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
8-[2-amino-5-(3-amino-1H-indazol-6-yl)-3-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 74221936
8-(3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928414
8-[3-Chloro-5-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395096
8-[3-Chloro-5-[4-(1-methylpyrazol-3-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407960

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162649003) is 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1ncc2c(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cccc21.
What is the InChIKey of 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZKPABWDXOCYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-26-18-4-2-3-14(15(18)12-25-26)16-11-23-13-17(22)19(16)27-9-6-21(7-10-27)5-8-24-20(21)28/h2-4,11-13H,5-10H2,1H3,(H,24,28).
What are the key properties of 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 395.89 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(1-methylindazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162649003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).