acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C25H27N7O3 — CID 171708336

IUPACacetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCC(=O)O.N#Cc1c(N)nc2c(c1-c1cc3n(n1)CCCNC3)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H23N7O.C2H4O2/c24-12-17-21(20-11-16-13-26-8-4-9-30(16)28-20)18-14-29(10-7-19(18)27-22(17)25)23(31)15-5-2-1-3-6-15;1-2(3)4/h1-3,5-6,11,26H,4,7-10,13-14H2,(H2,25,27);1H3,(H,3,4)
InChIKeyFFHZJOCKWGUTMV-UHFFFAOYSA-N
MW473.54 g/mol
LogP2.18
Rot. Bonds2

About acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 171708336) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Nameacetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID171708336
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Nameacetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCC(=O)O.N#Cc1c(N)nc2c(c1-c1cc3n(n1)CCCNC3)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H23N7O.C2H4O2/c24-12-17-21(20-11-16-13-26-8-4-9-30(16)28-20)18-14-29(10-7-19(18)27-22(17)25)23(31)15-5-2-1-3-6-15;1-2(3)4/h1-3,5-6,11,26H,4,7-10,13-14H2,(H2,25,27);1H3,(H,3,4)
InChIKeyFFHZJOCKWGUTMV-UHFFFAOYSA-N
XLogP2.18
TPSA150.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

ethyl 2-amino-3-cyano-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;hydrochloride
CID 171710660
acetic acid;2-amino-6-(2-fluoro-4-hydroxyphenyl)-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile
CID 171710032
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
CID 171707452
7-amino-9-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-3,5-dihydro-2H-[1,4]dithiepino[6,5-b]pyridine-8-carbonitrile
CID 169415481
2-amino-6-(1,3-benzodioxol-5-yl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
CID 171708251
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
2-amino-6-(cyclobutanecarbonyl)-4-(1H-indol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56914514
6-acetyl-2-amino-4-(1-pyrimidin-2-ylpyrrol-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;formic acid
CID 171330474
6-acetyl-2-amino-4-[4-(pyrazol-1-ylmethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169413678
2-amino-6-(cyclopropanecarbonyl)-4-(1-phenylpyrazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169412695
acetic acid;2-(1-benzyl-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 172897021
3-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)benzonitrile
CID 53165148

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 171708336) is acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CC(=O)O.N#Cc1c(N)nc2c(c1-c1cc3n(n1)CCCNC3)CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is FFHZJOCKWGUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O.C2H4O2/c24-12-17-21(20-11-16-13-26-8-4-9-30(16)28-20)18-14-29(10-7-19(18)27-22(17)25)23(31)15-5-2-1-3-6-15;1-2(3)4/h1-3,5-6,11,26H,4,7-10,13-14H2,(H2,25,27);1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 473.54 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 171708336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).