5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C14H10ClN5S — CID 135892959

IUPAC5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESClc1ccc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)s1
InChIInChI=1S/C14H10ClN5S/c15-12-2-1-11(21-12)13-18-10-7-17-20(14(10)19-13)8-9-3-5-16-6-4-9/h1-7H,8H2,(H,18,19)
InChIKeyCOTKXQDQJGCPFI-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.58
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135892959) has the molecular formula C14H10ClN5S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135892959
Molecular FormulaC14H10ClN5S
Molecular Weight315.79 g/mol
Exact Mass315.03
IUPAC Name5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESClc1ccc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)s1
InChIInChI=1S/C14H10ClN5S/c15-12-2-1-11(21-12)13-18-10-7-17-20(14(10)19-13)8-9-3-5-16-6-4-9/h1-7H,8H2,(H,18,19)
InChIKeyCOTKXQDQJGCPFI-UHFFFAOYSA-N
XLogP3.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135892959) is 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole is Clc1ccc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is COTKXQDQJGCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S/c15-12-2-1-11(21-12)13-18-10-7-17-20(14(10)19-13)8-9-3-5-16-6-4-9/h1-7H,8H2,(H,18,19).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 315.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).