N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide

C24H25FN6O — CID 177299839

IUPACN-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)cn1
InChIInChI=1S/C24H25FN6O/c1-31(2)10-9-26-24(32)19-8-7-14(12-27-19)22-16-6-4-3-5-15(16)21-17-13-28-30-20(17)11-18(25)23(21)29-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,32)(H,28,30)
InChIKeyMTKLCXTWYHSZEZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide (PubChem CID 177299839) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
PubChem CID177299839
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)cn1
InChIInChI=1S/C24H25FN6O/c1-31(2)10-9-26-24(32)19-8-7-14(12-27-19)22-16-6-4-3-5-15(16)21-17-13-28-30-20(17)11-18(25)23(21)29-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,32)(H,28,30)
InChIKeyMTKLCXTWYHSZEZ-UHFFFAOYSA-N
XLogP3.48
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299967
N-[2-(dimethylamino)ethyl]-4-[9-hydroxy-5-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]benzamide
CID 177299981
N',N'-dimethyl-N-[1-[5-[5-oxo-11-(trifluoromethyl)-5λ4-thia-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl]-2-pyridinyl]ethenyl]ethane-1,2-diamine
CID 170610488
N-[2-(dimethylamino)ethyl]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299929
N-hydroxy-5-[9-hydroxy-5-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]pyridine-2-carboxamide
CID 177299877
N-(2-piperidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 165437318
N,N,N'-trimethyl-N'-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]ethane-1,2-diamine
CID 155151683
N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
N-[2-(dimethylamino)ethyl]-6-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299934
2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
CID 155151677
N-[2-(dimethylamino)ethyl]-4-[17-(2-pyridin-4-ylethynyl)-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14,17-hexaen-9-yl]benzamide
CID 177299982

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide (CID 177299839) is N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide is CN(C)CCNC(=O)c1ccc(-c2nc3c(F)cc4[nH]ncc4c3c3c2CCCC3)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The InChIKey is MTKLCXTWYHSZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-31(2)10-9-26-24(32)19-8-7-14(12-27-19)22-16-6-4-3-5-15(16)21-17-13-28-30-20(17)11-18(25)23(21)29-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,32)(H,28,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177299839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).