5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide

C22H24N6O2 — CID 121373210

IUPAC5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cn1
InChIInChI=1S/C22H24N6O2/c1-14(29)28-11-10-20-18(13-28)21(26-27(20)3)25-17-7-4-15(5-8-17)16-6-9-19(24-12-16)22(30)23-2/h4-9,12H,10-11,13H2,1-3H3,(H,23,30)(H,25,26)
InChIKeyVMVYBAJPPRPGHX-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.49
Rot. Bonds4

About 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide

5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 121373210) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID121373210
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cn1
InChIInChI=1S/C22H24N6O2/c1-14(29)28-11-10-20-18(13-28)21(26-27(20)3)25-17-7-4-15(5-8-17)16-6-9-19(24-12-16)22(30)23-2/h4-9,12H,10-11,13H2,1-3H3,(H,23,30)(H,25,26)
InChIKeyVMVYBAJPPRPGHX-UHFFFAOYSA-N
XLogP2.49
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373215
1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365515
1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373259
1-[3-[4-(3-hydroxyphenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145091066
1-[1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383057
1-[1-methyl-3-[4-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373264
1-[1-methyl-3-[4-[5-(methylsulfanylamino)cyclohexa-1,5-dien-1-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139398280
1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373253
1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373389
1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373231
1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158770410
1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373008

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide (CID 121373210) is 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cn1.
What is the InChIKey of 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is VMVYBAJPPRPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(29)28-11-10-20-18(13-28)21(26-27(20)3)25-17-7-4-15(5-8-17)16-6-9-19(24-12-16)22(30)23-2/h4-9,12H,10-11,13H2,1-3H3,(H,23,30)(H,25,26).
What are the key properties of 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide?
5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121373210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).