8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C21H23ClN6O — CID 118408140

IUPAC8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCNc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
InChIInChI=1S/C21H23ClN6O/c1-23-19-14-3-2-13(10-17(14)26-27-19)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H,25,29)(H2,23,26,27)
InChIKeyUWTMXZFDTBHJPH-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.43
Rot. Bonds3

About 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118408140) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118408140
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCNc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
InChIInChI=1S/C21H23ClN6O/c1-23-19-14-3-2-13(10-17(14)26-27-19)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H,25,29)(H2,23,26,27)
InChIKeyUWTMXZFDTBHJPH-UHFFFAOYSA-N
XLogP3.43
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

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
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
8-[3-(3-Azanyl-2~{h}-Indazol-6-Yl)-5-Chloranyl-Pyridin-4-Yl]-2,8-Diazaspiro[4.5]decan-1-One
CID 117072459
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
JH-Xvi-178
CID 156445498
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
N-[6-chloro-5-(4-pyridyl)-1H-indazol-3-yl]butanamide
CID 22319680
(2'S,3R)-2'-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486228
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-methylpyrazol-3-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407960
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407979

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118408140) is 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CNc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.
What is the InChIKey of 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UWTMXZFDTBHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-23-19-14-3-2-13(10-17(14)26-27-19)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H,25,29)(H2,23,26,27).
What are the key properties of 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 410.91 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118408140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).