7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane

C22H25N7OS — CID 157239084

IUPAC7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
SMILESCn1cc(-c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)cn1.S
InChIInChI=1S/C22H23N7O.H2S/c1-29-14-17(11-27-29)15-2-4-16(5-3-15)19-10-20-21(25-7-6-24-20)22(28-19)26-13-18-12-23-8-9-30-18;/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28);1H2/t18-;/m0./s1
InChIKeyAUZKVMFCWHKKMS-FERBBOLQSA-N
MW435.56 g/mol
LogP2.61
Rot. Bonds5

About 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane

7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane (PubChem CID 157239084) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane.

Molecular Properties

Compound Name7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
PubChem CID157239084
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
SMILESCn1cc(-c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)cn1.S
InChIInChI=1S/C22H23N7O.H2S/c1-29-14-17(11-27-29)15-2-4-16(5-3-15)19-10-20-21(25-7-6-24-20)22(28-19)26-13-18-12-23-8-9-30-18;/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28);1H2/t18-;/m0./s1
InChIKeyAUZKVMFCWHKKMS-FERBBOLQSA-N
XLogP2.61
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012243
7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71489008
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
CID 71113439
3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
CID 141437407
7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157227299
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113400
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
CID 123607371

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The IUPAC name of 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane (CID 157239084) is 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane.
What is the SMILES notation for 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The canonical SMILES for 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane is Cn1cc(-c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)cn1.S.
What is the InChIKey of 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
The InChIKey is AUZKVMFCWHKKMS-FERBBOLQSA-N. The full InChI is InChI=1S/C22H23N7O.H2S/c1-29-14-17(11-27-29)15-2-4-16(5-3-15)19-10-20-21(25-7-6-24-20)22(28-19)26-13-18-12-23-8-9-30-18;/h2-7,10-11,14,18,23H,8-9,12-13H2,1H3,(H,26,28);1H2/t18-;/m0./s1.
What are the key properties of 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane?
7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane has a molecular weight of 435.56 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane is sourced from PubChem (CID 157239084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).