N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide

C37H47F3N10O3 — CID 90763375

IUPACN-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)C(C)CCN3CCCC(c4ncc(-c5[nH]nc(NC(=O)C(C)CCN6CCCCC6)c5F)cc4F)C3)c2F)cn1
InChIInChI=1S/C37H47F3N10O3/c1-22(11-16-49-13-5-4-6-14-49)36(51)44-35-30(40)33(46-48-35)26-18-27(38)31(42-20-26)25-8-7-15-50(21-25)17-12-23(2)37(52)43-34-29(39)32(45-47-34)24-9-10-28(53-3)41-19-24/h9-10,18-20,22-23,25H,4-8,11-17,21H2,1-3H3,(H2,43,45,47,52)(H2,44,46,48,51)
InChIKeyMKFOFYLHXLZCCW-UHFFFAOYSA-N
MW736.84 g/mol
LogP5.98
Rot. Bonds14

About N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide

N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide (PubChem CID 90763375) has the molecular formula C37H47F3N10O3 and a molecular weight of 736.84 g/mol. Its IUPAC name is N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
PubChem CID90763375
Molecular FormulaC37H47F3N10O3
Molecular Weight736.84 g/mol
Exact Mass736.38
IUPAC NameN-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)C(C)CCN3CCCC(c4ncc(-c5[nH]nc(NC(=O)C(C)CCN6CCCCC6)c5F)cc4F)C3)c2F)cn1
InChIInChI=1S/C37H47F3N10O3/c1-22(11-16-49-13-5-4-6-14-49)36(51)44-35-30(40)33(46-48-35)26-18-27(38)31(42-20-26)25-8-7-15-50(21-25)17-12-23(2)37(52)43-34-29(39)32(45-47-34)24-9-10-28(53-3)41-19-24/h9-10,18-20,22-23,25H,4-8,11-17,21H2,1-3H3,(H2,43,45,47,52)(H2,44,46,48,51)
InChIKeyMKFOFYLHXLZCCW-UHFFFAOYSA-N
XLogP5.98
TPSA157.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.84
LogP ≤ 55.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-(4-methoxyphenyl)pyridazin-3-yl)-N-(pyridin-4-yl)piperidine-4-carboxamide
CID 30866703
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 15513076
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(2-methoxyphenyl)acetamide
CID 17818820
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621015
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621064
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 44621099
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 44621104
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 44621145
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 44621183
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 45107185
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 45107225
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107263

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide (CID 90763375) is N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)C(C)CCN3CCCC(c4ncc(-c5[nH]nc(NC(=O)C(C)CCN6CCCCC6)c5F)cc4F)C3)c2F)cn1.
What is the InChIKey of N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
The InChIKey is MKFOFYLHXLZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47F3N10O3/c1-22(11-16-49-13-5-4-6-14-49)36(51)44-35-30(40)33(46-48-35)26-18-27(38)31(42-20-26)25-8-7-15-50(21-25)17-12-23(2)37(52)43-34-29(39)32(45-47-34)24-9-10-28(53-3)41-19-24/h9-10,18-20,22-23,25H,4-8,11-17,21H2,1-3H3,(H2,43,45,47,52)(H2,44,46,48,51).
What are the key properties of N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide?
N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide has a molecular weight of 736.84 g/mol, XLogP of 5.98, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[5-fluoro-6-[1-[4-[[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methyl-4-oxobutyl]piperidin-3-yl]-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 90763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).