(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone

C16H17N5OS — CID 172902881

IUPAC(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ccnc4ccsc34)CC2)cn1
InChIInChI=1S/C16H17N5OS/c1-19-11-12(10-18-19)16(22)21-7-5-20(6-8-21)14-2-4-17-13-3-9-23-15(13)14/h2-4,9-11H,5-8H2,1H3
InChIKeyDBQYHJNGHAUGRK-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.99
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone

(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone (PubChem CID 172902881) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
PubChem CID172902881
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ccnc4ccsc34)CC2)cn1
InChIInChI=1S/C16H17N5OS/c1-19-11-12(10-18-19)16(22)21-7-5-20(6-8-21)14-2-4-17-13-3-9-23-15(13)14/h2-4,9-11H,5-8H2,1H3
InChIKeyDBQYHJNGHAUGRK-UHFFFAOYSA-N
XLogP1.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
7-piperazin-1-ylthieno[3,2-b]pyridine
CID 67539796
2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 71978017
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
(1-methylpyrazol-4-yl)-[4-(4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 172901753
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903276
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone (CID 172902881) is (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone is Cn1cc(C(=O)N2CCN(c3ccnc4ccsc34)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone?
The InChIKey is DBQYHJNGHAUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-19-11-12(10-18-19)16(22)21-7-5-20(6-8-21)14-2-4-17-13-3-9-23-15(13)14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 172902881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).