2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H37N5O — CID 3905636

IUPAC2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)c1c(C(=O)NCCCN2CCCCC2C)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C23H37N5O/c1-16(2)21-18(15-25-20-14-19(23(4,5)6)26-28(20)21)22(29)24-11-9-13-27-12-8-7-10-17(27)3/h14-17H,7-13H2,1-6H3,(H,24,29)
InChIKeyMCNFMZPBGUNFHN-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.14
Rot. Bonds6

About 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3905636) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3905636
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)c1c(C(=O)NCCCN2CCCCC2C)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C23H37N5O/c1-16(2)21-18(15-25-20-14-19(23(4,5)6)26-28(20)21)22(29)24-11-9-13-27-12-8-7-10-17(27)3/h14-17H,7-13H2,1-6H3,(H,24,29)
InChIKeyMCNFMZPBGUNFHN-UHFFFAOYSA-N
XLogP4.14
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-7-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4236035
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7327903
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239148
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3905636) is 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)c1c(C(=O)NCCCN2CCCCC2C)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MCNFMZPBGUNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-16(2)21-18(15-25-20-14-19(23(4,5)6)26-28(20)21)22(29)24-11-9-13-27-12-8-7-10-17(27)3/h14-17H,7-13H2,1-6H3,(H,24,29).
What are the key properties of 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3905636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).