1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone

C47H64FN7O4 — CID 143900844

IUPAC1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2CN2CCOCC2)c1.CCCC1CCC(NC(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C32H39FN4O3.C15H25N3O/c1-23(2)37-11-9-35(10-12-37)21-25-7-8-30(27(17-25)22-36-13-15-39-16-14-36)26-5-4-6-29(18-26)40-32-31(24(3)38)19-28(33)20-34-32;1-4-5-12-6-8-13(9-7-12)16-15(19)14-10-11(2)18(3)17-14/h4-8,17-20,23H,9-16,21-22H2,1-3H3;10,12-13H,4-9H2,1-3H3,(H,16,19)
InChIKeyNTPHTJPPFJRVQJ-UHFFFAOYSA-N
MW810.07 g/mol
LogP8.06
Rot. Bonds13

About 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone

1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone (PubChem CID 143900844) has the molecular formula C47H64FN7O4 and a molecular weight of 810.07 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone
PubChem CID143900844
Molecular FormulaC47H64FN7O4
Molecular Weight810.07 g/mol
Exact Mass809.50
IUPAC Name1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2CN2CCOCC2)c1.CCCC1CCC(NC(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C32H39FN4O3.C15H25N3O/c1-23(2)37-11-9-35(10-12-37)21-25-7-8-30(27(17-25)22-36-13-15-39-16-14-36)26-5-4-6-29(18-26)40-32-31(24(3)38)19-28(33)20-34-32;1-4-5-12-6-8-13(9-7-12)16-15(19)14-10-11(2)18(3)17-14/h4-8,17-20,23H,9-16,21-22H2,1-3H3;10,12-13H,4-9H2,1-3H3,(H,16,19)
InChIKeyNTPHTJPPFJRVQJ-UHFFFAOYSA-N
XLogP8.06
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.07
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone with MolForge

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Related Compounds

N-[4-[4-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]-4-oxobutyl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 90436098
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone
CID 143900862
[4-[[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-(thiomorpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68546013
[4-[3-[[3-[[4-[(1,5-dimethylpyrazol-3-yl)-methylamino]cyclohexyl]carbamoyl]-5-fluoro-2-pyridinyl]oxy]phenyl]-3-(morpholin-4-ylmethyl)phenyl] 2,2,2-trifluoroacetate
CID 68544732
[4-[3-[[3-[[4-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]cyclohexyl]carbamoyl]-5-fluoro-2-pyridinyl]oxy]phenyl]-3-(morpholin-4-ylmethyl)phenyl] 2,2,2-trifluoroacetate
CID 68547928
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 59190465
5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 142706361
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 44518169
N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 59190510
5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 90643910
N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 59190470
2-[3-(2-chloro-3-formylphenyl)phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 87492990

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone?
The IUPAC name of 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone (CID 143900844) is 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone?
The canonical SMILES for 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone is CC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2CN2CCOCC2)c1.CCCC1CCC(NC(=O)c2cc(C)n(C)n2)CC1.
What is the InChIKey of 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone?
The InChIKey is NTPHTJPPFJRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O3.C15H25N3O/c1-23(2)37-11-9-35(10-12-37)21-25-7-8-30(27(17-25)22-36-13-15-39-16-14-36)26-5-4-6-29(18-26)40-32-31(24(3)38)19-28(33)20-34-32;1-4-5-12-6-8-13(9-7-12)16-15(19)14-10-11(2)18(3)17-14/h4-8,17-20,23H,9-16,21-22H2,1-3H3;10,12-13H,4-9H2,1-3H3,(H,16,19).
What are the key properties of 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone?
1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone has a molecular weight of 810.07 g/mol, XLogP of 8.06, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-propylcyclohexyl)pyrazole-3-carboxamide;1-[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenoxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 143900844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).