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

C27H30F3N7O — CID 155151736

IUPACN-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESCN(C)C1CCC(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1
InChIInChI=1S/C27H30F3N7O/c1-37(2)15-9-7-14(8-10-15)32-26(38)24-22-20(34-35-24)12-11-19-21(22)16-5-3-4-6-17(16)23(33-19)18-13-31-36-25(18)27(28,29)30/h11-15H,3-10H2,1-2H3,(H,31,36)(H,32,38)(H,34,35)
InChIKeyWOPPAGKHGYBSRA-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.00
Rot. Bonds4

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

N-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide (PubChem CID 155151736) has the molecular formula C27H30F3N7O and a molecular weight of 525.58 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
PubChem CID155151736
Molecular FormulaC27H30F3N7O
Molecular Weight525.58 g/mol
Exact Mass525.25
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESCN(C)C1CCC(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1
InChIInChI=1S/C27H30F3N7O/c1-37(2)15-9-7-14(8-10-15)32-26(38)24-22-20(34-35-24)12-11-19-21(22)16-5-3-4-6-17(16)23(33-19)18-13-31-36-25(18)27(28,29)30/h11-15H,3-10H2,1-2H3,(H,31,36)(H,32,38)(H,34,35)
InChIKeyWOPPAGKHGYBSRA-UHFFFAOYSA-N
XLogP5.00
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(dimethylamino)cyclohexyl]-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)cyclohexyl]-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-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide (CID 155151736) is N-[4-(dimethylamino)cyclohexyl]-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-[4-(dimethylamino)cyclohexyl]-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-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide is CN(C)C1CCC(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
The InChIKey is WOPPAGKHGYBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7O/c1-37(2)15-9-7-14(8-10-15)32-26(38)24-22-20(34-35-24)12-11-19-21(22)16-5-3-4-6-17(16)23(33-19)18-13-31-36-25(18)27(28,29)30/h11-15H,3-10H2,1-2H3,(H,31,36)(H,32,38)(H,34,35).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide?
N-[4-(dimethylamino)cyclohexyl]-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 525.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-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 155151736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).