N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

C17H23N7O2 — CID 118779509

IUPACN-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCOc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)nc(N)n1
InChIInChI=1S/C17H23N7O2/c1-26-15-8-14(20-17(18)21-15)23-5-6-24-13(10-23)7-12(22-24)9-19-16(25)11-3-2-4-11/h7-8,11H,2-6,9-10H2,1H3,(H,19,25)(H2,18,20,21)
InChIKeyASHSOTLYCKDVLG-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.70
Rot. Bonds5

About N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 118779509) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID118779509
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCOc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)nc(N)n1
InChIInChI=1S/C17H23N7O2/c1-26-15-8-14(20-17(18)21-15)23-5-6-24-13(10-23)7-12(22-24)9-19-16(25)11-3-2-4-11/h7-8,11H,2-6,9-10H2,1H3,(H,19,25)(H2,18,20,21)
InChIKeyASHSOTLYCKDVLG-UHFFFAOYSA-N
XLogP0.70
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide with MolForge

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Related Compounds

6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
CID 118788133
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
CID 118794991
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769143
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784232
N-[[5-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118772109
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790699
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769724
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70747840
N-[[5-[(2-fluoro-5-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70717656
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 122567874

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 118779509) is N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is COc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)nc(N)n1.
What is the InChIKey of N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ASHSOTLYCKDVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-26-15-8-14(20-17(18)21-15)23-5-6-24-13(10-23)7-12(22-24)9-19-16(25)11-3-2-4-11/h7-8,11H,2-6,9-10H2,1H3,(H,19,25)(H2,18,20,21).
What are the key properties of N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 118779509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).