2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C17H23N7O — CID 70778248

IUPAC2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3ncnc4c3CCC4)cc2C1
InChIInChI=1S/C17H23N7O/c1-22(2)17(25)23-6-7-24-13(10-23)8-12(21-24)9-18-16-14-4-3-5-15(14)19-11-20-16/h8,11H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeySEXTUOROUVAOTK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.27
Rot. Bonds3

About 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70778248) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70778248
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3ncnc4c3CCC4)cc2C1
InChIInChI=1S/C17H23N7O/c1-22(2)17(25)23-6-7-24-13(10-23)8-12(21-24)9-18-16-14-4-3-5-15(14)19-11-20-16/h8,11H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeySEXTUOROUVAOTK-UHFFFAOYSA-N
XLogP1.27
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70729401
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70765027
2-[(hex-3-enoylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91940678
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70782089
2-[(furan-3-carbonylamino)methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 72929044
N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70727961
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70778248) is 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNc3ncnc4c3CCC4)cc2C1.
What is the InChIKey of 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SEXTUOROUVAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-22(2)17(25)23-6-7-24-13(10-23)8-12(21-24)9-18-16-14-4-3-5-15(14)19-11-20-16/h8,11H,3-7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70778248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).