3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine

C23H21ClN8S — CID 167048089

IUPAC3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cn[nH]c4C5)c4cnc2n34)c1Cl
InChIInChI=1S/C23H21ClN8S/c24-19-16(3-6-26-20(19)25)33-17-1-2-18-29-21(15-12-27-22(17)32(15)18)31-7-4-23(5-8-31)9-13-11-28-30-14(13)10-23/h1-3,6,11-12H,4-5,7-10H2,(H2,25,26)(H,28,30)
InChIKeyVUICWXCHYXWXND-UHFFFAOYSA-N
MW477.00 g/mol
LogP4.21
Rot. Bonds3

About 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine

3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine (PubChem CID 167048089) has the molecular formula C23H21ClN8S and a molecular weight of 477.00 g/mol. Its IUPAC name is 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine
PubChem CID167048089
Molecular FormulaC23H21ClN8S
Molecular Weight477.00 g/mol
Exact Mass476.13
IUPAC Name3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cn[nH]c4C5)c4cnc2n34)c1Cl
InChIInChI=1S/C23H21ClN8S/c24-19-16(3-6-26-20(19)25)33-17-1-2-18-29-21(15-12-27-22(17)32(15)18)31-7-4-23(5-8-31)9-13-11-28-30-14(13)10-23/h1-3,6,11-12H,4-5,7-10H2,(H2,25,26)(H,28,30)
InChIKeyVUICWXCHYXWXND-UHFFFAOYSA-N
XLogP4.21
TPSA101.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.00
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1,6-diamine
CID 167048193
2-[6-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol
CID 167048074
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
(1R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047994
6-bromo-1'-[8-(2,3-dichlorophenyl)sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047978
(1S)-1'-[8-[2-chloro-3-(pyrazin-2-ylamino)phenyl]sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047990
3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
CID 146554051
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine
CID 142403885
3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
CID 166781287
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine
CID 166735889

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine (CID 167048089) is 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cn[nH]c4C5)c4cnc2n34)c1Cl.
What is the InChIKey of 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine?
The InChIKey is VUICWXCHYXWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8S/c24-19-16(3-6-26-20(19)25)33-17-1-2-18-29-21(15-12-27-22(17)32(15)18)31-7-4-23(5-8-31)9-13-11-28-30-14(13)10-23/h1-3,6,11-12H,4-5,7-10H2,(H2,25,26)(H,28,30).
What are the key properties of 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine?
3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine has a molecular weight of 477.00 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 167048089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).