4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide

C26H26N6O3 — CID 162664219

IUPAC4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(N)=O)cc3)ccn2)ccn1
InChIInChI=1S/C26H26N6O3/c1-26(2,34)22-13-18(9-11-28-22)30-23-14-20(10-12-29-23)35-21-15-32(19-7-8-19)31-24(21)16-3-5-17(6-4-16)25(27)33/h3-6,9-15,19,34H,7-8H2,1-2H3,(H2,27,33)(H,28,29,30)
InChIKeyLDHSZULGWGTUOU-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.54
Rot. Bonds8

About 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide

4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide (PubChem CID 162664219) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide
PubChem CID162664219
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(N)=O)cc3)ccn2)ccn1
InChIInChI=1S/C26H26N6O3/c1-26(2,34)22-13-18(9-11-28-22)30-23-14-20(10-12-29-23)35-21-15-32(19-7-8-19)31-24(21)16-3-5-17(6-4-16)25(27)33/h3-6,9-15,19,34H,7-8H2,1-2H3,(H2,27,33)(H,28,29,30)
InChIKeyLDHSZULGWGTUOU-UHFFFAOYSA-N
XLogP4.54
TPSA128.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide (CID 162664219) is 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(N)=O)cc3)ccn2)ccn1.
What is the InChIKey of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide?
The InChIKey is LDHSZULGWGTUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-26(2,34)22-13-18(9-11-28-22)30-23-14-20(10-12-29-23)35-21-15-32(19-7-8-19)31-24(21)16-3-5-17(6-4-16)25(27)33/h3-6,9-15,19,34H,7-8H2,1-2H3,(H2,27,33)(H,28,29,30).
What are the key properties of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide?
4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzamide is sourced from PubChem (CID 162664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).