N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide

C19H26N6O2 — CID 131671990

IUPACN-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1
InChIInChI=1S/C19H26N6O2/c26-19(17-1-5-21-22-10-17)20-9-16-12-24(11-15-3-7-27-8-4-15)14-18-2-6-23-25(18)13-16/h1-2,5-6,10,15-16H,3-4,7-9,11-14H2,(H,20,26)
InChIKeyQGKXENNGVMSFLW-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.96
Rot. Bonds5

About N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide

N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131671990) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide
PubChem CID131671990
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1
InChIInChI=1S/C19H26N6O2/c26-19(17-1-5-21-22-10-17)20-9-16-12-24(11-15-3-7-27-8-4-15)14-18-2-6-23-25(18)13-16/h1-2,5-6,10,15-16H,3-4,7-9,11-14H2,(H,20,26)
InChIKeyQGKXENNGVMSFLW-UHFFFAOYSA-N
XLogP0.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
CID 124782236
N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124820243
(7R)-7-(ethoxymethyl)-5-[[(3S)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124521580
(7S)-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909459
N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridazine-4-carboxamide
CID 118739430
N-[[(3R,3aR,6aR)-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124780776
N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97482016
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131899772
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
N-[[5-[(4-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131663081
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide (CID 131671990) is N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide is O=C(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1.
What is the InChIKey of N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is QGKXENNGVMSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-19(17-1-5-21-22-10-17)20-9-16-12-24(11-15-3-7-27-8-4-15)14-18-2-6-23-25(18)13-16/h1-2,5-6,10,15-16H,3-4,7-9,11-14H2,(H,20,26).
What are the key properties of N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide?
N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131671990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).