N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

C18H18N8O — CID 118789867

IUPACN-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2cc3n(n2)CCN(Cc2cccc4nonc24)C3)nc1
InChIInChI=1S/C18H18N8O/c1-3-13(17-16(4-1)23-27-24-17)11-25-7-8-26-15(12-25)9-14(22-26)10-21-18-19-5-2-6-20-18/h1-6,9H,7-8,10-12H2,(H,19,20,21)
InChIKeyVZAYPIPWLFIQQH-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.84
Rot. Bonds5

About N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118789867) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118789867
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2cc3n(n2)CCN(Cc2cccc4nonc24)C3)nc1
InChIInChI=1S/C18H18N8O/c1-3-13(17-16(4-1)23-27-24-17)11-25-7-8-26-15(12-25)9-14(22-26)10-21-18-19-5-2-6-20-18/h1-6,9H,7-8,10-12H2,(H,19,20,21)
InChIKeyVZAYPIPWLFIQQH-UHFFFAOYSA-N
XLogP1.84
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970
N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118763967
4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]benzoic acid
CID 118788965
N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118792457
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118794700
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118791369
N-[[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
CID 118772705
3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 118795752
N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 125173894

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118789867) is N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is c1cnc(NCc2cc3n(n2)CCN(Cc2cccc4nonc24)C3)nc1.
What is the InChIKey of N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is VZAYPIPWLFIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-3-13(17-16(4-1)23-27-24-17)11-25-7-8-26-15(12-25)9-14(22-26)10-21-18-19-5-2-6-20-18/h1-6,9H,7-8,10-12H2,(H,19,20,21).
What are the key properties of N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 362.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118789867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).