N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide

C66H70F5N11O5 — CID 158679705

IUPACN-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnn(C)c5)c4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnoc5)c4)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H38F2N6O2.C32H32F3N5O3/c1-5-41-10-12-42(13-11-41)22-26-9-7-24(14-30(26)34(3,35)36)15-32(43)25-8-6-23(2)31(17-25)39-33(44)28-16-27(18-37-19-28)29-20-38-40(4)21-29;1-3-39-8-10-40(11-9-39)19-24-7-5-22(12-28(24)32(33,34)35)13-30(41)23-6-4-21(2)29(15-23)38-31(42)26-14-25(16-36-17-26)27-18-37-43-20-27/h6-9,14,16-21H,5,10-13,15,22H2,1-4H3,(H,39,44);4-7,12,14-18,20H,3,8-11,13,19H2,1-2H3,(H,38,42)
InChIKeyIEYRCAJVFAAGPV-UHFFFAOYSA-N
MW1192.35 g/mol
LogP11.60
Rot. Bonds19

About N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide

N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide (PubChem CID 158679705) has the molecular formula C66H70F5N11O5 and a molecular weight of 1192.35 g/mol. Its IUPAC name is N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
PubChem CID158679705
Molecular FormulaC66H70F5N11O5
Molecular Weight1192.35 g/mol
Exact Mass1191.55
IUPAC NameN-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESCCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnn(C)c5)c4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnoc5)c4)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C34H38F2N6O2.C32H32F3N5O3/c1-5-41-10-12-42(13-11-41)22-26-9-7-24(14-30(26)34(3,35)36)15-32(43)25-8-6-23(2)31(17-25)39-33(44)28-16-27(18-37-19-28)29-20-38-40(4)21-29;1-3-39-8-10-40(11-9-39)19-24-7-5-22(12-28(24)32(33,34)35)13-30(41)23-6-4-21(2)29(15-23)38-31(42)26-14-25(16-36-17-26)27-18-37-43-20-27/h6-9,14,16-21H,5,10-13,15,22H2,1-4H3,(H,39,44);4-7,12,14-18,20H,3,8-11,13,19H2,1-2H3,(H,38,42)
InChIKeyIEYRCAJVFAAGPV-UHFFFAOYSA-N
XLogP11.60
TPSA174.93 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.35
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 118153215
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 122645153
N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 157472299
N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide;N-[5-[(3,5-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide;methane
CID 158207751
N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 158679706

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide (CID 158679705) is N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide is CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnn(C)c5)c4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnoc5)c4)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The InChIKey is IEYRCAJVFAAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O2.C32H32F3N5O3/c1-5-41-10-12-42(13-11-41)22-26-9-7-24(14-30(26)34(3,35)36)15-32(43)25-8-6-23(2)31(17-25)39-33(44)28-16-27(18-37-19-28)29-20-38-40(4)21-29;1-3-39-8-10-40(11-9-39)19-24-7-5-22(12-28(24)32(33,34)35)13-30(41)23-6-4-21(2)29(15-23)38-31(42)26-14-25(16-36-17-26)27-18-37-43-20-27/h6-9,14,16-21H,5,10-13,15,22H2,1-4H3,(H,39,44);4-7,12,14-18,20H,3,8-11,13,19H2,1-2H3,(H,38,42).
What are the key properties of N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide has a molecular weight of 1192.35 g/mol, XLogP of 11.60, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158679705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).