(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine

C20H26ClN7OS — CID 150621154

IUPAC(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
SMILESNc1nc(N2CCC3(CC2)CC2OCC[C@@H]2C3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C20H26ClN7OS/c21-15-13(1-5-25-17(15)23)30-19-18(24)27-14(10-26-19)28-6-3-20(4-7-28)9-12-11(16(20)22)2-8-29-12/h1,5,10-12,16H,2-4,6-9,22H2,(H2,23,25)(H2,24,27)/t11-,12?,16?/m0/s1
InChIKeyIVXXCPRRSMDJLN-FZWSLVFFSA-N
MW448.00 g/mol
LogP2.56
Rot. Bonds3

About (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine

(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine (PubChem CID 150621154) has the molecular formula C20H26ClN7OS and a molecular weight of 448.00 g/mol. Its IUPAC name is (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
PubChem CID150621154
Molecular FormulaC20H26ClN7OS
Molecular Weight448.00 g/mol
Exact Mass447.16
IUPAC Name(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
SMILESNc1nc(N2CCC3(CC2)CC2OCC[C@@H]2C3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C20H26ClN7OS/c21-15-13(1-5-25-17(15)23)30-19-18(24)27-14(10-26-19)28-6-3-20(4-7-28)9-12-11(16(20)22)2-8-29-12/h1,5,10-12,16H,2-4,6-9,22H2,(H2,23,25)(H2,24,27)/t11-,12?,16?/m0/s1
InChIKeyIVXXCPRRSMDJLN-FZWSLVFFSA-N
XLogP2.56
TPSA129.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.00
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine with MolForge

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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
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;butanedioic acid
CID 146454292
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385238
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol
CID 123531032

Frequently Asked Questions

What is the IUPAC name of (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine?
The IUPAC name of (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine (CID 150621154) is (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine.
What is the SMILES notation for (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine?
The canonical SMILES for (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine is Nc1nc(N2CCC3(CC2)CC2OCC[C@@H]2C3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine?
The InChIKey is IVXXCPRRSMDJLN-FZWSLVFFSA-N. The full InChI is InChI=1S/C20H26ClN7OS/c21-15-13(1-5-25-17(15)23)30-19-18(24)27-14(10-26-19)28-6-3-20(4-7-28)9-12-11(16(20)22)2-8-29-12/h1,5,10-12,16H,2-4,6-9,22H2,(H2,23,25)(H2,24,27)/t11-,12?,16?/m0/s1.
What are the key properties of (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine?
(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine has a molecular weight of 448.00 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine is sourced from PubChem (CID 150621154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).