1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide

C17H24N6O2 — CID 131653513

IUPAC1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc3n2CCN(C2CCOC2)CC3)cn1
InChIInChI=1S/C17H24N6O2/c1-21-11-13(8-20-21)17(24)19-10-15-9-18-16-2-4-22(5-6-23(15)16)14-3-7-25-12-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,19,24)
InChIKeyKHELIIGPGZLJEH-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.19
Rot. Bonds4

About 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 131653513) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID131653513
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc3n2CCN(C2CCOC2)CC3)cn1
InChIInChI=1S/C17H24N6O2/c1-21-11-13(8-20-21)17(24)19-10-15-9-18-16-2-4-22(5-6-23(15)16)14-3-7-25-12-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,19,24)
InChIKeyKHELIIGPGZLJEH-UHFFFAOYSA-N
XLogP0.19
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[[7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrrole-2-carboxamide
CID 97467216
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]imidazole-2-carboxamide
CID 131654713
N-[[(3R,3aS,7aS)-5-(oxolan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 133144332
N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 98820820
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467173
N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 98817954
N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909984
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155836587
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide (CID 131653513) is 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cnc3n2CCN(C2CCOC2)CC3)cn1.
What is the InChIKey of 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is KHELIIGPGZLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-11-13(8-20-21)17(24)19-10-15-9-18-16-2-4-22(5-6-23(15)16)14-3-7-25-12-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,19,24).
What are the key properties of 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131653513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).