N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine

C18H22N6O — CID 56912755

IUPACN-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine
SMILESCN(Cc1cc2n(n1)CCCNC2)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H22N6O/c1-23(12-15-9-16-11-20-5-2-8-24(16)21-15)13-17-10-18(22-25-17)14-3-6-19-7-4-14/h3-4,6-7,9-10,20H,2,5,8,11-13H2,1H3
InChIKeyDFQJJAZYGJJLET-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine

N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine (PubChem CID 56912755) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine
PubChem CID56912755
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine
SMILESCN(Cc1cc2n(n1)CCCNC2)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H22N6O/c1-23(12-15-9-16-11-20-5-2-8-24(16)21-15)13-17-10-18(22-25-17)14-3-6-19-7-4-14/h3-4,6-7,9-10,20H,2,5,8,11-13H2,1H3
InChIKeyDFQJJAZYGJJLET-UHFFFAOYSA-N
XLogP2.06
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine (CID 56912755) is N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine is CN(Cc1cc2n(n1)CCCNC2)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine?
The InChIKey is DFQJJAZYGJJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23(12-15-9-16-11-20-5-2-8-24(16)21-15)13-17-10-18(22-25-17)14-3-6-19-7-4-14/h3-4,6-7,9-10,20H,2,5,8,11-13H2,1H3.
What are the key properties of N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine?
N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine has a molecular weight of 338.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)methanamine is sourced from PubChem (CID 56912755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).