N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C19H26ClFN6O2 — CID 165385592

IUPACN-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2nc(Nc3cn(C(C)C)nc3Cl)ncc2F)CC1
InChIInChI=1S/C19H26ClFN6O2/c1-11(2)27-9-16(17(20)26-27)24-19-22-8-15(21)18(25-19)29-10-13-4-6-14(7-5-13)23-12(3)28/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,23,28)(H,22,24,25)
InChIKeyOAJXLGULSQAXQW-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.86
Rot. Bonds7

About N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385592) has the molecular formula C19H26ClFN6O2 and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385592
Molecular FormulaC19H26ClFN6O2
Molecular Weight424.91 g/mol
Exact Mass424.18
IUPAC NameN-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2nc(Nc3cn(C(C)C)nc3Cl)ncc2F)CC1
InChIInChI=1S/C19H26ClFN6O2/c1-11(2)27-9-16(17(20)26-27)24-19-22-8-15(21)18(25-19)29-10-13-4-6-14(7-5-13)23-12(3)28/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,23,28)(H,22,24,25)
InChIKeyOAJXLGULSQAXQW-UHFFFAOYSA-N
XLogP3.86
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385592) is N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(COc2nc(Nc3cn(C(C)C)nc3Cl)ncc2F)CC1.
What is the InChIKey of N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is OAJXLGULSQAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN6O2/c1-11(2)27-9-16(17(20)26-27)24-19-22-8-15(21)18(25-19)29-10-13-4-6-14(7-5-13)23-12(3)28/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).