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

C25H27FN6O — CID 177299929

IUPACN-[2-(dimethylamino)ethyl]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
SMILESCc1[nH]nc2cc(F)c3nc(-c4ccc(C(=O)NCCN(C)C)cn4)c4c(c3c12)CCCC4
InChIInChI=1S/C25H27FN6O/c1-14-21-20(31-30-14)12-18(26)24-22(21)16-6-4-5-7-17(16)23(29-24)19-9-8-15(13-28-19)25(33)27-10-11-32(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,27,33)(H,30,31)
InChIKeyQLKKCAMZYYDIRM-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.79
Rot. Bonds5

About 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

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 (PubChem CID 177299929) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
PubChem CID177299929
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
SMILESCc1[nH]nc2cc(F)c3nc(-c4ccc(C(=O)NCCN(C)C)cn4)c4c(c3c12)CCCC4
InChIInChI=1S/C25H27FN6O/c1-14-21-20(31-30-14)12-18(26)24-22(21)16-6-4-5-7-17(16)23(29-24)19-9-8-15(13-28-19)25(33)27-10-11-32(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,27,33)(H,30,31)
InChIKeyQLKKCAMZYYDIRM-UHFFFAOYSA-N
XLogP3.79
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299839
N-[2-(dimethylamino)ethyl]-3-fluoro-4-(5-methyl-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-2(14),3(11),4,7,9,12-hexaen-13-yl)benzamide
CID 177299878
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
N-[2-(dimethylamino)ethyl]-4-[1-(2-pyridin-4-ylethynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]benzamide
CID 177299904
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
CID 133469974

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc2cc(F)c3nc(-c4ccc(C(=O)NCCN(C)C)cn4)c4c(c3c12)CCCC4.
What is the InChIKey of 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?
The InChIKey is QLKKCAMZYYDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-14-21-20(31-30-14)12-18(26)24-22(21)16-6-4-5-7-17(16)23(29-24)19-9-8-15(13-28-19)25(33)27-10-11-32(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,27,33)(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 446.53 g/mol, XLogP of 3.79, 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]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 177299929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).