4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C20H25N5O2 — CID 59743458

IUPAC4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O2/c1-2-12-27-18-5-3-4-17-16(18)13-22-25(17)19-10-11-21-20(24-19)23-14-6-8-15(26)9-7-14/h3-5,10-11,13-15,26H,2,6-9,12H2,1H3,(H,21,23,24)
InChIKeyINESNNFVDPZTKT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.32
Rot. Bonds6

About 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 59743458) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID59743458
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O2/c1-2-12-27-18-5-3-4-17-16(18)13-22-25(17)19-10-11-21-20(24-19)23-14-6-8-15(26)9-7-14/h3-5,10-11,13-15,26H,2,6-9,12H2,1H3,(H,21,23,24)
InChIKeyINESNNFVDPZTKT-UHFFFAOYSA-N
XLogP3.32
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 59743458) is 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is CCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is INESNNFVDPZTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-12-27-18-5-3-4-17-16(18)13-22-25(17)19-10-11-21-20(24-19)23-14-6-8-15(26)9-7-14/h3-5,10-11,13-15,26H,2,6-9,12H2,1H3,(H,21,23,24).
What are the key properties of 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 367.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59743458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).