N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

C24H23F4N5O2 — CID 118399059

IUPACN-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESN[C@H]1CC[C@H](c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnn2C2CC2)OC[C@@H]1F
InChIInChI=1S/C24H23F4N5O2/c25-13-2-1-3-14(26)21(13)22-15(27)6-8-18(31-22)24(34)32-19-10-30-33(12-4-5-12)23(19)20-9-7-17(29)16(28)11-35-20/h1-3,6,8,10,12,16-17,20H,4-5,7,9,11,29H2,(H,32,34)/t16-,17-,20+/m0/s1
InChIKeyGIVOQPYFGTUDRN-ABSDTBQOSA-N
MW489.47 g/mol
LogP4.47
Rot. Bonds5

About N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 118399059) has the molecular formula C24H23F4N5O2 and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID118399059
Molecular FormulaC24H23F4N5O2
Molecular Weight489.47 g/mol
Exact Mass489.18
IUPAC NameN-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESN[C@H]1CC[C@H](c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnn2C2CC2)OC[C@@H]1F
InChIInChI=1S/C24H23F4N5O2/c25-13-2-1-3-14(26)21(13)22-15(27)6-8-18(31-22)24(34)32-19-10-30-33(12-4-5-12)23(19)20-9-7-17(29)16(28)11-35-20/h1-3,6,8,10,12,16-17,20H,4-5,7,9,11,29H2,(H,32,34)/t16-,17-,20+/m0/s1
InChIKeyGIVOQPYFGTUDRN-ABSDTBQOSA-N
XLogP4.47
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(1-hydroxycyclopropyl)phenyl)-5-fluoropicolinamide
CID 73425569
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl)-5-fluoropicolinamide
CID 73437697
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl)-5-fluoropicolinamide
CID 73437698
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 73437699
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437751
N-(5-((2S,5R,6S)-5-Amino-6-hydroxyoxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437752
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-hydroxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437753
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437754
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)-5-fluoropicolinamide
CID 73437755
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73437807
N-(5-((2S,5R,6S)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)-5-fluoropicolinamide
CID 73438135

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 118399059) is N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is N[C@H]1CC[C@H](c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnn2C2CC2)OC[C@@H]1F.
What is the InChIKey of N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is GIVOQPYFGTUDRN-ABSDTBQOSA-N. The full InChI is InChI=1S/C24H23F4N5O2/c25-13-2-1-3-14(26)21(13)22-15(27)6-8-18(31-22)24(34)32-19-10-30-33(12-4-5-12)23(19)20-9-7-17(29)16(28)11-35-20/h1-3,6,8,10,12,16-17,20H,4-5,7,9,11,29H2,(H,32,34)/t16-,17-,20+/m0/s1.
What are the key properties of N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R,5S,6R)-5-amino-6-fluorooxepan-2-yl]-1-cyclopropylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 118399059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).