N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

C22H23N7 — CID 118788879

IUPACN-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc2c(N3CCn4nc(CNc5ncccn5)cc4C3)ccnc2c1C
InChIInChI=1S/C22H23N7/c1-15-4-5-19-20(6-9-23-21(19)16(15)2)28-10-11-29-18(14-28)12-17(27-29)13-26-22-24-7-3-8-25-22/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,26)
InChIKeyWVLFYDXCRMCOBE-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.47
Rot. Bonds4

About N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118788879) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118788879
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc2c(N3CCn4nc(CNc5ncccn5)cc4C3)ccnc2c1C
InChIInChI=1S/C22H23N7/c1-15-4-5-19-20(6-9-23-21(19)16(15)2)28-10-11-29-18(14-28)12-17(27-29)13-26-22-24-7-3-8-25-22/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,26)
InChIKeyWVLFYDXCRMCOBE-UHFFFAOYSA-N
XLogP3.47
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118788879) is N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is Cc1ccc2c(N3CCn4nc(CNc5ncccn5)cc4C3)ccnc2c1C.
What is the InChIKey of N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is WVLFYDXCRMCOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-15-4-5-19-20(6-9-23-21(19)16(15)2)28-10-11-29-18(14-28)12-17(27-29)13-26-22-24-7-3-8-25-22/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 385.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).