2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H28N6O — CID 86822964

IUPAC2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)15(23-10-8-22(4)9-11-23)12-20-18(25)16-14(3)21-24-7-5-6-19-17(16)24/h5-7,13,15H,8-12H2,1-4H3,(H,20,25)
InChIKeyYEIZOGYWZYZHRW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86822964) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86822964
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)15(23-10-8-22(4)9-11-23)12-20-18(25)16-14(3)21-24-7-5-6-19-17(16)24/h5-7,13,15H,8-12H2,1-4H3,(H,20,25)
InChIKeyYEIZOGYWZYZHRW-UHFFFAOYSA-N
XLogP1.04
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418
N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111695429
2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045926
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119050637
3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 110403154
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86822964) is 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YEIZOGYWZYZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)15(23-10-8-22(4)9-11-23)12-20-18(25)16-14(3)21-24-7-5-6-19-17(16)24/h5-7,13,15H,8-12H2,1-4H3,(H,20,25).
What are the key properties of 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86822964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).