7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane

C34H47FN6O — CID 143588020

IUPAC7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane
SMILESC=C1CCc2ccc(CNC(=O)c3cc(C(=C)NCC4(C)CC(CC)CC(CCC)C4)n4nccc4n3)cc2N1.CF
InChIInChI=1S/C33H44N6O.CH3F/c1-6-8-25-15-24(7-2)18-33(5,19-25)21-35-23(4)30-17-29(38-31-13-14-36-39(30)31)32(40)34-20-26-10-12-27-11-9-22(3)37-28(27)16-26;1-2/h10,12-14,16-17,24-25,35,37H,3-4,6-9,11,15,18-21H2,1-2,5H3,(H,34,40);1H3
InChIKeyHGMTVGBEAKSSLF-UHFFFAOYSA-N
MW574.79 g/mol
LogP7.31
Rot. Bonds10

About 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane

7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane (PubChem CID 143588020) has the molecular formula C34H47FN6O and a molecular weight of 574.79 g/mol. Its IUPAC name is 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane.

Molecular Properties

Compound Name7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane
PubChem CID143588020
Molecular FormulaC34H47FN6O
Molecular Weight574.79 g/mol
Exact Mass574.38
IUPAC Name7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane
SMILESC=C1CCc2ccc(CNC(=O)c3cc(C(=C)NCC4(C)CC(CC)CC(CCC)C4)n4nccc4n3)cc2N1.CF
InChIInChI=1S/C33H44N6O.CH3F/c1-6-8-25-15-24(7-2)18-33(5,19-25)21-35-23(4)30-17-29(38-31-13-14-36-39(30)31)32(40)34-20-26-10-12-27-11-9-22(3)37-28(27)16-26;1-2/h10,12-14,16-17,24-25,35,37H,3-4,6-9,11,15,18-21H2,1-2,5H3,(H,34,40);1H3
InChIKeyHGMTVGBEAKSSLF-UHFFFAOYSA-N
XLogP7.31
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.79
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane?
The IUPAC name of 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane (CID 143588020) is 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane.
What is the SMILES notation for 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane?
The canonical SMILES for 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane is C=C1CCc2ccc(CNC(=O)c3cc(C(=C)NCC4(C)CC(CC)CC(CCC)C4)n4nccc4n3)cc2N1.CF.
What is the InChIKey of 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane?
The InChIKey is HGMTVGBEAKSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O.CH3F/c1-6-8-25-15-24(7-2)18-33(5,19-25)21-35-23(4)30-17-29(38-31-13-14-36-39(30)31)32(40)34-20-26-10-12-27-11-9-22(3)37-28(27)16-26;1-2/h10,12-14,16-17,24-25,35,37H,3-4,6-9,11,15,18-21H2,1-2,5H3,(H,34,40);1H3.
What are the key properties of 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane?
7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane has a molecular weight of 574.79 g/mol, XLogP of 7.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(3-ethyl-1-methyl-5-propylcyclohexyl)methylamino]ethenyl]-N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;fluoromethane is sourced from PubChem (CID 143588020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).