N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C21H22N6O — CID 46836776

IUPACN-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CCNCC4)c23)C1
InChIInChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26)
InChIKeyWESDSWDUQIHZPM-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.92
Rot. Bonds2

About N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 46836776) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID46836776
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CCNCC4)c23)C1
InChIInChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26)
InChIKeyWESDSWDUQIHZPM-UHFFFAOYSA-N
XLogP2.92
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490834
2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
CID 90909155
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-chloro-2-phenylethanone
CID 59490349
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-[3-(6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 171927683
N,N,1-trimethyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 91154935
1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
CID 91186564
N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490412
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490366
3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490566
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
CID 14267826

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 46836776) is N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(C4=CCNCC4)c23)C1.
What is the InChIKey of N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is WESDSWDUQIHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(24-16-4-2-1-3-5-16)27-11-8-17-15(13-27)12-23-20-18(17)19(25-26-20)14-6-9-22-10-7-14/h1-6,12,22H,7-11,13H2,(H,24,28)(H,23,25,26).
What are the key properties of N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 46836776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).