4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C20H25N5O3 — CID 59743442

IUPAC4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOCCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O3/c26-11-2-12-28-18-4-1-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(27)8-6-14/h1,3-4,9-10,13-15,26-27H,2,5-8,11-12H2,(H,21,23,24)
InChIKeySPBVUOILOVHJPD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.29
Rot. Bonds7

About 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 59743442) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID59743442
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOCCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O3/c26-11-2-12-28-18-4-1-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(27)8-6-14/h1,3-4,9-10,13-15,26-27H,2,5-8,11-12H2,(H,21,23,24)
InChIKeySPBVUOILOVHJPD-UHFFFAOYSA-N
XLogP2.29
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 59743442) is 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is OCCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is SPBVUOILOVHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-11-2-12-28-18-4-1-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(27)8-6-14/h1,3-4,9-10,13-15,26-27H,2,5-8,11-12H2,(H,21,23,24).
What are the key properties of 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 383.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(3-hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59743442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).