(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine

C20H23ClN6S — CID 146485538

IUPAC(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
SMILESCc1nccc(Sc2ccc3nc(N4CCC[C@@](C)(N)CC4)cnc3n2)c1Cl
InChIInChI=1S/C20H23ClN6S/c1-13-18(21)15(6-9-23-13)28-17-5-4-14-19(26-17)24-12-16(25-14)27-10-3-7-20(2,22)8-11-27/h4-6,9,12H,3,7-8,10-11,22H2,1-2H3/t20-/m1/s1
InChIKeyFQFIIOPXGVUALB-HXUWFJFHSA-N
MW414.97 g/mol
LogP4.24
Rot. Bonds3

About (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine

(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine (PubChem CID 146485538) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine.

Molecular Properties

Compound Name(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
PubChem CID146485538
Molecular FormulaC20H23ClN6S
Molecular Weight414.97 g/mol
Exact Mass414.14
IUPAC Name(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
SMILESCc1nccc(Sc2ccc3nc(N4CCC[C@@](C)(N)CC4)cnc3n2)c1Cl
InChIInChI=1S/C20H23ClN6S/c1-13-18(21)15(6-9-23-13)28-17-5-4-14-19(26-17)24-12-16(25-14)27-10-3-7-20(2,22)8-11-27/h4-6,9,12H,3,7-8,10-11,22H2,1-2H3/t20-/m1/s1
InChIKeyFQFIIOPXGVUALB-HXUWFJFHSA-N
XLogP4.24
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine?
The IUPAC name of (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine (CID 146485538) is (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine.
What is the SMILES notation for (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine?
The canonical SMILES for (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine is Cc1nccc(Sc2ccc3nc(N4CCC[C@@](C)(N)CC4)cnc3n2)c1Cl.
What is the InChIKey of (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine?
The InChIKey is FQFIIOPXGVUALB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23ClN6S/c1-13-18(21)15(6-9-23-13)28-17-5-4-14-19(26-17)24-12-16(25-14)27-10-3-7-20(2,22)8-11-27/h4-6,9,12H,3,7-8,10-11,22H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine?
(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine has a molecular weight of 414.97 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine is sourced from PubChem (CID 146485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).