4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

C26H25N7S — CID 3011489

IUPAC4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccsc1C(c1ccccn1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C26H25N7S/c1-19-10-16-34-24(19)23(22-9-5-6-11-27-22)31-12-14-32(15-13-31)25-21-17-30-33(26(21)29-18-28-25)20-7-3-2-4-8-20/h2-11,16-18,23H,12-15H2,1H3
InChIKeyBGTMHROUQRIMRY-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.49
Rot. Bonds5

About 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 3011489) has the molecular formula C26H25N7S and a molecular weight of 467.60 g/mol. Its IUPAC name is 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID3011489
Molecular FormulaC26H25N7S
Molecular Weight467.60 g/mol
Exact Mass467.19
IUPAC Name4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccsc1C(c1ccccn1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C26H25N7S/c1-19-10-16-34-24(19)23(22-9-5-6-11-27-22)31-12-14-32(15-13-31)25-21-17-30-33(26(21)29-18-28-25)20-7-3-2-4-8-20/h2-11,16-18,23H,12-15H2,1H3
InChIKeyBGTMHROUQRIMRY-UHFFFAOYSA-N
XLogP4.49
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 3011489) is 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is Cc1ccsc1C(c1ccccn1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is BGTMHROUQRIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7S/c1-19-10-16-34-24(19)23(22-9-5-6-11-27-22)31-12-14-32(15-13-31)25-21-17-30-33(26(21)29-18-28-25)20-7-3-2-4-8-20/h2-11,16-18,23H,12-15H2,1H3.
What are the key properties of 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 467.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3011489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).