5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine

C16H15N7S — CID 139321199

IUPAC5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(NCc3cc4cnccc4s3)n2)cn1
InChIInChI=1S/C16H15N7S/c1-23-9-11(6-21-23)13-8-19-15(17)16(22-13)20-7-12-4-10-5-18-3-2-14(10)24-12/h2-6,8-9H,7H2,1H3,(H2,17,19)(H,20,22)
InChIKeyNWWBHENNJUIHPY-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.68
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine

5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine (PubChem CID 139321199) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine
PubChem CID139321199
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(NCc3cc4cnccc4s3)n2)cn1
InChIInChI=1S/C16H15N7S/c1-23-9-11(6-21-23)13-8-19-15(17)16(22-13)20-7-12-4-10-5-18-3-2-14(10)24-12/h2-6,8-9H,7H2,1H3,(H2,17,19)(H,20,22)
InChIKeyNWWBHENNJUIHPY-UHFFFAOYSA-N
XLogP2.68
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine (CID 139321199) is 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine is Cn1cc(-c2cnc(N)c(NCc3cc4cnccc4s3)n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is NWWBHENNJUIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-23-9-11(6-21-23)13-8-19-15(17)16(22-13)20-7-12-4-10-5-18-3-2-14(10)24-12/h2-6,8-9H,7H2,1H3,(H2,17,19)(H,20,22).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine?
5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 337.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 139321199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).