(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine

C16H17Cl2N5S — CID 118247967

IUPAC(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
SMILESNc1nc(N2CC3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N5S/c17-9-2-1-3-10(13(9)18)24-15-14(20)22-12(6-21-15)23-7-16(8-23)5-4-11(16)19/h1-3,6,11H,4-5,7-8,19H2,(H2,20,22)/t11-/m1/s1
InChIKeyCIEBGWHWGZMBGV-LLVKDONJSA-N
MW382.32 g/mol
LogP3.44
Rot. Bonds3

About (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine

(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine (PubChem CID 118247967) has the molecular formula C16H17Cl2N5S and a molecular weight of 382.32 g/mol. Its IUPAC name is (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine.

Molecular Properties

Compound Name(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
PubChem CID118247967
Molecular FormulaC16H17Cl2N5S
Molecular Weight382.32 g/mol
Exact Mass381.06
IUPAC Name(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
SMILESNc1nc(N2CC3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N5S/c17-9-2-1-3-10(13(9)18)24-15-14(20)22-12(6-21-15)23-7-16(8-23)5-4-11(16)19/h1-3,6,11H,4-5,7-8,19H2,(H2,20,22)/t11-/m1/s1
InChIKeyCIEBGWHWGZMBGV-LLVKDONJSA-N
XLogP3.44
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.5]nonan-3-amine
CID 126480853
3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
CID 134401671
(3S)-7-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 158312015
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
(4R)-8-[6-(aminomethyl)-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182847
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;methane
CID 159089252
3-(3-amino-2-chlorophenyl)sulfanyl-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;5-amino-3-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;3-(2,3-dichlorophenyl)sulfanyl-6-(3-methyl-7-azaspiro[3.5]nonan-7-yl)pyrazin-2-amine;6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 163487752
3-(3-amino-2-chlorophenyl)sulfanyl-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;5-amino-3-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;3-(2,3-dichlorophenyl)sulfanyl-6-(3-methyl-7-azaspiro[3.5]nonan-7-yl)pyrazin-2-amine;6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158312234
6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
CID 118238335
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

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine?
The IUPAC name of (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine (CID 118247967) is (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine.
What is the SMILES notation for (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine?
The canonical SMILES for (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine is Nc1nc(N2CC3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine?
The InChIKey is CIEBGWHWGZMBGV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17Cl2N5S/c17-9-2-1-3-10(13(9)18)24-15-14(20)22-12(6-21-15)23-7-16(8-23)5-4-11(16)19/h1-3,6,11H,4-5,7-8,19H2,(H2,20,22)/t11-/m1/s1.
What are the key properties of (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine?
(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine has a molecular weight of 382.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine is sourced from PubChem (CID 118247967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).