2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide

C19H28N6O2 — CID 72853312

IUPAC2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1cnc(C(C)C)nc1)C2
InChIInChI=1S/C19H28N6O2/c1-14(2)19-21-8-15(9-22-19)11-24-5-4-6-25-17(12-24)7-16(23-25)10-20-18(26)13-27-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,20,26)
InChIKeyXQIZMXHPZMHITN-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.47
Rot. Bonds7

About 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide

2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (PubChem CID 72853312) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
PubChem CID72853312
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(Cc1cnc(C(C)C)nc1)C2
InChIInChI=1S/C19H28N6O2/c1-14(2)19-21-8-15(9-22-19)11-24-5-4-6-25-17(12-24)7-16(23-25)10-20-18(26)13-27-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,20,26)
InChIKeyXQIZMXHPZMHITN-UHFFFAOYSA-N
XLogP1.47
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methylpyrimidin-4-amine
CID 70708303
N~4~-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidine-2,4-diamine
CID 70714900
N-methyl-N-{[2-(methylamino)-5-pyrimidinyl]methyl}-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide dihydrochloride
CID 70724697
N,N-dimethyl-2-{[(6-methylpyrimidin-4-yl)amino]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 70726969
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-6-methylpyrimidin-4-amine
CID 70741596
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-6-methylpyrimidin-4-amine
CID 70754386
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidin-2-amine
CID 70767265
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(methoxyacetyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56911476
N-({5-[(2-ethylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70705872
N-({5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70747840
N'-({5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-N,N-dimethylurea
CID 70754010
2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 134076165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (CID 72853312) is 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is COCC(=O)NCc1cc2n(n1)CCCN(Cc1cnc(C(C)C)nc1)C2.
What is the InChIKey of 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The InChIKey is XQIZMXHPZMHITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14(2)19-21-8-15(9-22-19)11-24-5-4-6-25-17(12-24)7-16(23-25)10-20-18(26)13-27-3/h7-9,14H,4-6,10-13H2,1-3H3,(H,20,26).
What are the key properties of 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(2-propan-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is sourced from PubChem (CID 72853312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).