5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one

C26H32ClN5O2 — CID 129173212

IUPAC5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C(C1CC1)N1CC(CN2C(=O)C3(CC3)NC2C2=CCC(C3=CC=C4NNCC4C3)C(Cl)=C2)C1
InChIInChI=1S/C26H32ClN5O2/c27-21-10-18(3-5-20(21)17-4-6-22-19(9-17)11-28-30-22)23-29-26(7-8-26)25(34)32(23)14-15-12-31(13-15)24(33)16-1-2-16/h3-4,6,10,15-16,19-20,23,28-30H,1-2,5,7-9,11-14H2
InChIKeyOWZMKMQTANXHML-UHFFFAOYSA-N
MW482.03 g/mol
LogP2.15
Rot. Bonds5

About 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one

5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 129173212) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID129173212
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C(C1CC1)N1CC(CN2C(=O)C3(CC3)NC2C2=CCC(C3=CC=C4NNCC4C3)C(Cl)=C2)C1
InChIInChI=1S/C26H32ClN5O2/c27-21-10-18(3-5-20(21)17-4-6-22-19(9-17)11-28-30-22)23-29-26(7-8-26)25(34)32(23)14-15-12-31(13-15)24(33)16-1-2-16/h3-4,6,10,15-16,19-20,23,28-30H,1-2,5,7-9,11-14H2
InChIKeyOWZMKMQTANXHML-UHFFFAOYSA-N
XLogP2.15
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

3-[4-[6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-7-oxo-4,6-diazaspiro[2.4]heptan-5-yl]cyclohexa-2,4-dien-1-yl]benzoic acid
CID 129173378
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1,4-dihydroquinazolin-7-yl)cyclohexa-1,5-dien-1-yl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173398
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173386
5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173519
5-[4-(6-chloronaphthalen-2-yl)-2-methylcyclohexa-1,3-dien-1-yl]-6-[[1-(1-methylcyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173516
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-6-carboxamide
CID 144972905
4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one
CID 123452577
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
CID 106901528

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 129173212) is 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one is O=C(C1CC1)N1CC(CN2C(=O)C3(CC3)NC2C2=CCC(C3=CC=C4NNCC4C3)C(Cl)=C2)C1.
What is the InChIKey of 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OWZMKMQTANXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c27-21-10-18(3-5-20(21)17-4-6-22-19(9-17)11-28-30-22)23-29-26(7-8-26)25(34)32(23)14-15-12-31(13-15)24(33)16-1-2-16/h3-4,6,10,15-16,19-20,23,28-30H,1-2,5,7-9,11-14H2.
What are the key properties of 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 482.03 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3,3a,4-tetrahydro-1H-indazol-5-yl)-5-chlorocyclohexa-1,5-dien-1-yl]-6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 129173212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).