3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine

C22H24ClN7O — CID 166973980

IUPAC3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine
SMILESCNc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n4ccnc4c23)c1Cl
InChIInChI=1S/C22H24ClN7O/c1-24-19-17(23)14(2-6-25-19)15-12-27-18-16(15)20-26-7-10-30(20)21(28-18)29-8-3-22(4-9-29)5-11-31-13-22/h2,6-7,10,12,27H,3-5,8-9,11,13H2,1H3,(H,24,25)
InChIKeyOSRFPZVQLHBTIQ-UHFFFAOYSA-N
MW437.94 g/mol
LogP3.97
Rot. Bonds3

About 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine

3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine (PubChem CID 166973980) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine
PubChem CID166973980
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC Name3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine
SMILESCNc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n4ccnc4c23)c1Cl
InChIInChI=1S/C22H24ClN7O/c1-24-19-17(23)14(2-6-25-19)15-12-27-18-16(15)20-26-7-10-30(20)21(28-18)29-8-3-22(4-9-29)5-11-31-13-22/h2,6-7,10,12,27H,3-5,8-9,11,13H2,1H3,(H,24,25)
InChIKeyOSRFPZVQLHBTIQ-UHFFFAOYSA-N
XLogP3.97
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine with MolForge

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Related Compounds

5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 145209918
(1S)-1'-[12-(4-chloro-2-methylindazol-5-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 162728652
(1R,5S)-8-[12-(4-chloro-2-methylindazol-5-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 175930887
12-(4-chloro-2-methylindazol-5-yl)-7-(3,6-diazabicyclo[3.2.1]octan-3-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 162728639
[5-amino-6-[3-chloro-2-(methylamino)pyridine-4-carboximidoyl]-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol
CID 153359800
methyl 4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylate
CID 146482635
(3S)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 139427196
(3S,4S)-3-methyl-8-[12-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 162728660
5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 139525837
(3S,4S)-8-[12-(2,3-dichlorophenyl)-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155433848
(3S)-8-[8-(2-chloro-3-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 155447996
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine (CID 166973980) is 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine is CNc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n4ccnc4c23)c1Cl.
What is the InChIKey of 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine?
The InChIKey is OSRFPZVQLHBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-24-19-17(23)14(2-6-25-19)15-12-27-18-16(15)20-26-7-10-30(20)21(28-18)29-8-3-22(4-9-29)5-11-31-13-22/h2,6-7,10,12,27H,3-5,8-9,11,13H2,1H3,(H,24,25).
What are the key properties of 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine?
3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine has a molecular weight of 437.94 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine is sourced from PubChem (CID 166973980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).