N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide

C24H18F3N7O — CID 155151740

IUPACN-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C24H18F3N7O/c25-24(26,27)22-15(11-29-34-22)20-14-4-2-1-3-13(14)18-16(31-20)5-6-17-19(18)21(33-32-17)23(35)30-12-7-9-28-10-8-12/h5-11H,1-4H2,(H,29,34)(H,32,33)(H,28,30,35)
InChIKeyUPIHZENHRLCPAM-UHFFFAOYSA-N
MW477.45 g/mol
LogP5.05
Rot. Bonds3

About N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide

N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide (PubChem CID 155151740) has the molecular formula C24H18F3N7O and a molecular weight of 477.45 g/mol. Its IUPAC name is N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
PubChem CID155151740
Molecular FormulaC24H18F3N7O
Molecular Weight477.45 g/mol
Exact Mass477.15
IUPAC NameN-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C24H18F3N7O/c25-24(26,27)22-15(11-29-34-22)20-14-4-2-1-3-13(14)18-16(31-20)5-6-17-19(18)21(33-32-17)23(35)30-12-7-9-28-10-8-12/h5-11H,1-4H2,(H,29,34)(H,32,33)(H,28,30,35)
InChIKeyUPIHZENHRLCPAM-UHFFFAOYSA-N
XLogP5.05
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.45
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
The IUPAC name of N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide (CID 155151740) is N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
The canonical SMILES for N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide is O=C(Nc1ccncc1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4.
What is the InChIKey of N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
The InChIKey is UPIHZENHRLCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O/c25-24(26,27)22-15(11-29-34-22)20-14-4-2-1-3-13(14)18-16(31-20)5-6-17-19(18)21(33-32-17)23(35)30-12-7-9-28-10-8-12/h5-11H,1-4H2,(H,29,34)(H,32,33)(H,28,30,35).
What are the key properties of N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide has a molecular weight of 477.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide is sourced from PubChem (CID 155151740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).