2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide

C25H23F2N7O3 — CID 66810705

IUPAC2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide
SMILESCC(C)c1cncc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CC(N)=O)c4)c3)c(F)c2F)c1
InChIInChI=1S/C25H23F2N7O3/c1-14(2)15-7-17(11-29-9-15)32-25(36)33-19-3-4-21(24(27)23(19)26)37-18-5-6-30-20(8-18)16-10-31-34(12-16)13-22(28)35/h3-12,14H,13H2,1-2H3,(H2,28,35)(H2,32,33,36)
InChIKeyHRTVMHMZTZHCQX-UHFFFAOYSA-N
MW507.50 g/mol
LogP4.66
Rot. Bonds8

About 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide

2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide (PubChem CID 66810705) has the molecular formula C25H23F2N7O3 and a molecular weight of 507.50 g/mol. Its IUPAC name is 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide
PubChem CID66810705
Molecular FormulaC25H23F2N7O3
Molecular Weight507.50 g/mol
Exact Mass507.18
IUPAC Name2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide
SMILESCC(C)c1cncc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CC(N)=O)c4)c3)c(F)c2F)c1
InChIInChI=1S/C25H23F2N7O3/c1-14(2)15-7-17(11-29-9-15)32-25(36)33-19-3-4-21(24(27)23(19)26)37-18-5-6-30-20(8-18)16-10-31-34(12-16)13-22(28)35/h3-12,14H,13H2,1-2H3,(H2,28,35)(H2,32,33,36)
InChIKeyHRTVMHMZTZHCQX-UHFFFAOYSA-N
XLogP4.66
TPSA137.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide (CID 66810705) is 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide is CC(C)c1cncc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(CC(N)=O)c4)c3)c(F)c2F)c1.
What is the InChIKey of 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide?
The InChIKey is HRTVMHMZTZHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O3/c1-14(2)15-7-17(11-29-9-15)32-25(36)33-19-3-4-21(24(27)23(19)26)37-18-5-6-30-20(8-18)16-10-31-34(12-16)13-22(28)35/h3-12,14H,13H2,1-2H3,(H2,28,35)(H2,32,33,36).
What are the key properties of 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide?
2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide has a molecular weight of 507.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2,3-difluoro-4-[(5-propan-2-yl-3-pyridinyl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 66810705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).