3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one

C20H21N7O2 — CID 118795752

IUPAC3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C20H21N7O2/c28-20-26(17-4-1-2-5-18(17)29-20)10-8-25-9-11-27-16(14-25)12-15(24-27)13-23-19-21-6-3-7-22-19/h1-7,12H,8-11,13-14H2,(H,21,22,23)
InChIKeyIGYCOAKKCSWDOL-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.71
Rot. Bonds6

About 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one

3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 118795752) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID118795752
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C20H21N7O2/c28-20-26(17-4-1-2-5-18(17)29-20)10-8-25-9-11-27-16(14-25)12-15(24-27)13-23-19-21-6-3-7-22-19/h1-7,12H,8-11,13-14H2,(H,21,22,23)
InChIKeyIGYCOAKKCSWDOL-UHFFFAOYSA-N
XLogP1.71
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764
3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 99970845
3-[2-(3-oxopiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 34182716
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
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 10109945
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
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
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 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) is 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCN1CCn2nc(CNc3ncccn3)cc2C1.
What is the InChIKey of 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is IGYCOAKKCSWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c28-20-26(17-4-1-2-5-18(17)29-20)10-8-25-9-11-27-16(14-25)12-15(24-27)13-23-19-21-6-3-7-22-19/h1-7,12H,8-11,13-14H2,(H,21,22,23).
What are the key properties of 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 391.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 118795752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).