N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C21H28N6OS — CID 30183840

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1
InChIInChI=1S/C21H28N6OS/c1-14-11-19-22-15(2)18(16(3)27(19)25-14)7-8-20(28)24-21-23-17(13-29-21)12-26-9-5-4-6-10-26/h11,13H,4-10,12H2,1-3H3,(H,23,24,28)
InChIKeyKFQJEVSYIBVOIV-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.67
Rot. Bonds6

About N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 30183840) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID30183840
Molecular FormulaC21H28N6OS
Molecular Weight412.56 g/mol
Exact Mass412.20
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1
InChIInChI=1S/C21H28N6OS/c1-14-11-19-22-15(2)18(16(3)27(19)25-14)7-8-20(28)24-21-23-17(13-29-21)12-26-9-5-4-6-10-26/h11,13H,4-10,12H2,1-3H3,(H,23,24,28)
InChIKeyKFQJEVSYIBVOIV-UHFFFAOYSA-N
XLogP3.67
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 30183840) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is KFQJEVSYIBVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-14-11-19-22-15(2)18(16(3)27(19)25-14)7-8-20(28)24-21-23-17(13-29-21)12-26-9-5-4-6-10-26/h11,13H,4-10,12H2,1-3H3,(H,23,24,28).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 412.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 30183840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).