2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine

C23H24N8S — CID 24815998

IUPAC2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3cc(C4CCCNC4)nc4c(-c5cnn(C)c5)cnn34)ccc2s1
InChIInChI=1S/C23H24N8S/c1-14-27-20-8-17(5-6-21(20)32-14)28-22-9-19(15-4-3-7-24-10-15)29-23-18(12-26-31(22)23)16-11-25-30(2)13-16/h5-6,8-9,11-13,15,24,28H,3-4,7,10H2,1-2H3
InChIKeyDKEBBLIFLXAXCF-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.26
Rot. Bonds4

About 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine

2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine (PubChem CID 24815998) has the molecular formula C23H24N8S and a molecular weight of 444.57 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine
PubChem CID24815998
Molecular FormulaC23H24N8S
Molecular Weight444.57 g/mol
Exact Mass444.18
IUPAC Name2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3cc(C4CCCNC4)nc4c(-c5cnn(C)c5)cnn34)ccc2s1
InChIInChI=1S/C23H24N8S/c1-14-27-20-8-17(5-6-21(20)32-14)28-22-9-19(15-4-3-7-24-10-15)29-23-18(12-26-31(22)23)16-11-25-30(2)13-16/h5-6,8-9,11-13,15,24,28H,3-4,7,10H2,1-2H3
InChIKeyDKEBBLIFLXAXCF-UHFFFAOYSA-N
XLogP4.26
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine (CID 24815998) is 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine is Cc1nc2cc(Nc3cc(C4CCCNC4)nc4c(-c5cnn(C)c5)cnn34)ccc2s1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine?
The InChIKey is DKEBBLIFLXAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8S/c1-14-27-20-8-17(5-6-21(20)32-14)28-22-9-19(15-4-3-7-24-10-15)29-23-18(12-26-31(22)23)16-11-25-30(2)13-16/h5-6,8-9,11-13,15,24,28H,3-4,7,10H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine?
2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine has a molecular weight of 444.57 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 24815998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).