3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine

C21H25N7OS — CID 167146768

IUPAC3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine
SMILESCSc1ccncc1/C=C/CNc1nc(-c2cnn(C3CCOCC3)c2)cnc1N
InChIInChI=1S/C21H25N7OS/c1-30-19-4-8-23-11-15(19)3-2-7-24-21-20(22)25-13-18(27-21)16-12-26-28(14-16)17-5-9-29-10-6-17/h2-4,8,11-14,17H,5-7,9-10H2,1H3,(H2,22,25)(H,24,27)/b3-2+
InChIKeyGLVLRMXIPQDTJS-NSCUHMNNSA-N
MW423.55 g/mol
LogP3.52
Rot. Bonds7

About 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine

3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine (PubChem CID 167146768) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine
PubChem CID167146768
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC Name3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine
SMILESCSc1ccncc1/C=C/CNc1nc(-c2cnn(C3CCOCC3)c2)cnc1N
InChIInChI=1S/C21H25N7OS/c1-30-19-4-8-23-11-15(19)3-2-7-24-21-20(22)25-13-18(27-21)16-12-26-28(14-16)17-5-9-29-10-6-17/h2-4,8,11-14,17H,5-7,9-10H2,1H3,(H2,22,25)(H,24,27)/b3-2+
InChIKeyGLVLRMXIPQDTJS-NSCUHMNNSA-N
XLogP3.52
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine
CID 139321199
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 139321225
5-[5-amino-6-[[(E)-3-(4-methylsulfanyl-1H-pyrazol-5-yl)prop-2-enyl]amino]pyrazin-2-yl]pyridine-2-carbonitrile
CID 167146819
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962
5-[1-(oxetan-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
CID 139321473
3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303809
3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
CID 139321238
5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
CID 118364004
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
CID 139321182
N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
CID 71113439
3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine
CID 126474497
3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
CID 163221724

Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine (CID 167146768) is 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine is CSc1ccncc1/C=C/CNc1nc(-c2cnn(C3CCOCC3)c2)cnc1N.
What is the InChIKey of 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine?
The InChIKey is GLVLRMXIPQDTJS-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-30-19-4-8-23-11-15(19)3-2-7-24-21-20(22)25-13-18(27-21)16-12-26-28(14-16)17-5-9-29-10-6-17/h2-4,8,11-14,17H,5-7,9-10H2,1H3,(H2,22,25)(H,24,27)/b3-2+.
What are the key properties of 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine?
3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine has a molecular weight of 423.55 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazine-2,3-diamine is sourced from PubChem (CID 167146768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).