3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

C21H23N7S — CID 58364807

IUPAC3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
SMILESCc1ccc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H23N7S/c1-13-5-6-15(11-23-13)17-12-24-28-19(26-20-8-14(2)27-29-20)9-18(25-21(17)28)16-4-3-7-22-10-16/h5-6,8-9,11-12,16,22,26H,3-4,7,10H2,1-2H3
InChIKeyCDENYFPOFQWRAV-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.08
Rot. Bonds4

About 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (PubChem CID 58364807) has the molecular formula C21H23N7S and a molecular weight of 405.53 g/mol. Its IUPAC name is 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
PubChem CID58364807
Molecular FormulaC21H23N7S
Molecular Weight405.53 g/mol
Exact Mass405.17
IUPAC Name3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
SMILESCc1ccc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H23N7S/c1-13-5-6-15(11-23-13)17-12-24-28-19(26-20-8-14(2)27-29-20)9-18(25-21(17)28)16-4-3-7-22-10-16/h5-6,8-9,11-12,16,22,26H,3-4,7,10H2,1-2H3
InChIKeyCDENYFPOFQWRAV-UHFFFAOYSA-N
XLogP4.08
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (CID 58364807) is 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is Cc1ccc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The InChIKey is CDENYFPOFQWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7S/c1-13-5-6-15(11-23-13)17-12-24-28-19(26-20-8-14(2)27-29-20)9-18(25-21(17)28)16-4-3-7-22-10-16/h5-6,8-9,11-12,16,22,26H,3-4,7,10H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine has a molecular weight of 405.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58364807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).