N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide

C27H25FN8O3 — CID 69295431

IUPACN-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4[nH]ncc4c3)c(F)c2)ccn1
InChIInChI=1S/C27H25FN8O3/c1-15(2)36-14-24(26(35-36)17-4-6-22-18(10-17)13-30-34-22)33-27(38)32-23-7-5-19(11-21(23)28)39-20-8-9-29-25(12-20)31-16(3)37/h4-15H,1-3H3,(H,30,34)(H,29,31,37)(H2,32,33,38)
InChIKeyKLZZEZFZUHHELI-UHFFFAOYSA-N
MW528.55 g/mol
LogP5.94
Rot. Bonds7

About N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide

N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide (PubChem CID 69295431) has the molecular formula C27H25FN8O3 and a molecular weight of 528.55 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
PubChem CID69295431
Molecular FormulaC27H25FN8O3
Molecular Weight528.55 g/mol
Exact Mass528.20
IUPAC NameN-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4[nH]ncc4c3)c(F)c2)ccn1
InChIInChI=1S/C27H25FN8O3/c1-15(2)36-14-24(26(35-36)17-4-6-22-18(10-17)13-30-34-22)33-27(38)32-23-7-5-19(11-21(23)28)39-20-8-9-29-25(12-20)31-16(3)37/h4-15H,1-3H3,(H,30,34)(H,29,31,37)(H2,32,33,38)
InChIKeyKLZZEZFZUHHELI-UHFFFAOYSA-N
XLogP5.94
TPSA138.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.55
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide (CID 69295431) is N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4[nH]ncc4c3)c(F)c2)ccn1.
What is the InChIKey of N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The InChIKey is KLZZEZFZUHHELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8O3/c1-15(2)36-14-24(26(35-36)17-4-6-22-18(10-17)13-30-34-22)33-27(38)32-23-7-5-19(11-21(23)28)39-20-8-9-29-25(12-20)31-16(3)37/h4-15H,1-3H3,(H,30,34)(H,29,31,37)(H2,32,33,38).
What are the key properties of N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide has a molecular weight of 528.55 g/mol, XLogP of 5.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-[[3-(1H-indazol-5-yl)-1-propan-2-ylpyrazol-4-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 69295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).