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

C26H33N5O3 — CID 147473320

IUPAC4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)CC1
InChIInChI=1S/C26H33N5O3/c1-25(2,32)22-14-18(8-12-27-22)29-23-15-20(9-13-28-23)34-21-16-31(19-4-5-19)30-24(21)17-6-10-26(3,33)11-7-17/h8-9,12-17,19,32-33H,4-7,10-11H2,1-3H3,(H,27,28,29)
InChIKeyFCEXTMJJFAGZJM-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.18
Rot. Bonds7

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

4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol (PubChem CID 147473320) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 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]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
PubChem CID147473320
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)CC1
InChIInChI=1S/C26H33N5O3/c1-25(2,32)22-14-18(8-12-27-22)29-23-15-20(9-13-28-23)34-21-16-31(19-4-5-19)30-24(21)17-6-10-26(3,33)11-7-17/h8-9,12-17,19,32-33H,4-7,10-11H2,1-3H3,(H,27,28,29)
InChIKeyFCEXTMJJFAGZJM-UHFFFAOYSA-N
XLogP5.18
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.18
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]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol (CID 147473320) is 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol.
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]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol is CC1(O)CCC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)CC1.
What is the InChIKey of 4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol?
The InChIKey is FCEXTMJJFAGZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-25(2,32)22-14-18(8-12-27-22)29-23-15-20(9-13-28-23)34-21-16-31(19-4-5-19)30-24(21)17-6-10-26(3,33)11-7-17/h8-9,12-17,19,32-33H,4-7,10-11H2,1-3H3,(H,27,28,29).
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]-1-methylcyclohexan-1-ol?
4-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol has a molecular weight of 463.58 g/mol, XLogP of 5.18, 7 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]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 147473320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).