1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone

C20H25ClFN7OS — CID 166885381

IUPAC1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone
SMILESNc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)CF)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C20H25ClFN7OS/c21-14-12(3-7-26-16(14)24)31-19-17(25)28-18(15(27-19)11(30)10-22)29-8-5-20(6-9-29)4-1-2-13(20)23/h3,7,13H,1-2,4-6,8-10,23H2,(H2,24,26)(H2,25,28)/t13-/m1/s1
InChIKeyIJGVUMSMITTWRQ-CYBMUJFWSA-N
MW465.99 g/mol
LogP3.09
Rot. Bonds5

About 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone

1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone (PubChem CID 166885381) has the molecular formula C20H25ClFN7OS and a molecular weight of 465.99 g/mol. Its IUPAC name is 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone
PubChem CID166885381
Molecular FormulaC20H25ClFN7OS
Molecular Weight465.99 g/mol
Exact Mass465.15
IUPAC Name1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone
SMILESNc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)CF)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C20H25ClFN7OS/c21-14-12(3-7-26-16(14)24)31-19-17(25)28-18(15(27-19)11(30)10-22)29-8-5-20(6-9-29)4-1-2-13(20)23/h3,7,13H,1-2,4-6,8-10,23H2,(H2,24,26)(H2,25,28)/t13-/m1/s1
InChIKeyIJGVUMSMITTWRQ-CYBMUJFWSA-N
XLogP3.09
TPSA137.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
1-[5-amino-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2-methoxyethanone
CID 172500566
3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide
CID 155323370
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
5-amino-6-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-[4-(methylamino)-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 123827668
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 162352729
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123630889
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247922
(6S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 150706514
3-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454749
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone?
The IUPAC name of 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone (CID 166885381) is 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone.
What is the SMILES notation for 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone?
The canonical SMILES for 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone is Nc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)CF)nc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone?
The InChIKey is IJGVUMSMITTWRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25ClFN7OS/c21-14-12(3-7-26-16(14)24)31-19-17(25)28-18(15(27-19)11(30)10-22)29-8-5-20(6-9-29)4-1-2-13(20)23/h3,7,13H,1-2,4-6,8-10,23H2,(H2,24,26)(H2,25,28)/t13-/m1/s1.
What are the key properties of 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone?
1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone has a molecular weight of 465.99 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone is sourced from PubChem (CID 166885381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).