1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide

C16H24N6O — CID 127247823

IUPAC1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1cc(C)n2ncc(CN3CCN(C)CC(C(N)=O)C3)c2n1
InChIInChI=1S/C16H24N6O/c1-11-6-12(2)22-16(19-11)13(7-18-22)9-21-5-4-20(3)8-14(10-21)15(17)23/h6-7,14H,4-5,8-10H2,1-3H3,(H2,17,23)
InChIKeyJOPCMZXTSKQWCZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.20
Rot. Bonds3

About 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide

1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide (PubChem CID 127247823) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
PubChem CID127247823
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1cc(C)n2ncc(CN3CCN(C)CC(C(N)=O)C3)c2n1
InChIInChI=1S/C16H24N6O/c1-11-6-12(2)22-16(19-11)13(7-18-22)9-21-5-4-20(3)8-14(10-21)15(17)23/h6-7,14H,4-5,8-10H2,1-3H3,(H2,17,23)
InChIKeyJOPCMZXTSKQWCZ-UHFFFAOYSA-N
XLogP0.20
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

N-[2-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95230082
4-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97188266
4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 72844801
9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56749916
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 77083067
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
1-[4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 56709167
N-[2-[(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 95190577
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
(6S)-1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 125003893
5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 77098483

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide (CID 127247823) is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide is Cc1cc(C)n2ncc(CN3CCN(C)CC(C(N)=O)C3)c2n1.
What is the InChIKey of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is JOPCMZXTSKQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-6-12(2)22-16(19-11)13(7-18-22)9-21-5-4-20(3)8-14(10-21)15(17)23/h6-7,14H,4-5,8-10H2,1-3H3,(H2,17,23).
What are the key properties of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide?
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 127247823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).