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

C21H21N7 — CID 118766132

IUPACN-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(N2CCn3nc(CNc4ncccn4)cc3C2)c2ccccc2n1
InChIInChI=1S/C21H21N7/c1-15-11-20(18-5-2-3-6-19(18)25-15)27-9-10-28-17(14-27)12-16(26-28)13-24-21-22-7-4-8-23-21/h2-8,11-12H,9-10,13-14H2,1H3,(H,22,23,24)
InChIKeyJMDUYAUXRLOVMS-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.16
Rot. Bonds4

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

N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118766132) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118766132
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(N2CCn3nc(CNc4ncccn4)cc3C2)c2ccccc2n1
InChIInChI=1S/C21H21N7/c1-15-11-20(18-5-2-3-6-19(18)25-15)27-9-10-28-17(14-27)12-16(26-28)13-24-21-22-7-4-8-23-21/h2-8,11-12H,9-10,13-14H2,1H3,(H,22,23,24)
InChIKeyJMDUYAUXRLOVMS-UHFFFAOYSA-N
XLogP3.16
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118766132) is N-[[5-(2-methylquinolin-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-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is Cc1cc(N2CCn3nc(CNc4ncccn4)cc3C2)c2ccccc2n1.
What is the InChIKey of N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is JMDUYAUXRLOVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-15-11-20(18-5-2-3-6-19(18)25-15)27-9-10-28-17(14-27)12-16(26-28)13-24-21-22-7-4-8-23-21/h2-8,11-12H,9-10,13-14H2,1H3,(H,22,23,24).
What are the key properties of N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 371.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118766132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).