2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate

C32H39F2N5O4 — CID 70982959

IUPAC2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCC(C(=O)OCCN4CCOCC4)CC3)nc2)c1
InChIInChI=1S/C32H39F2N5O4/c1-21-17-26(37-29(18-21)38-28-19-23(30(33)34)9-10-35-28)24-5-8-27(36-20-24)32(2,41)25-6-3-22(4-7-25)31(40)43-16-13-39-11-14-42-15-12-39/h5,8-10,17-20,22,25,30,41H,3-4,6-7,11-16H2,1-2H3,(H,35,37,38)
InChIKeyRPCXNOLYTQOKKG-UHFFFAOYSA-N
MW595.69 g/mol
LogP5.42
Rot. Bonds10

About 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate

2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate (PubChem CID 70982959) has the molecular formula C32H39F2N5O4 and a molecular weight of 595.69 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
PubChem CID70982959
Molecular FormulaC32H39F2N5O4
Molecular Weight595.69 g/mol
Exact Mass595.30
IUPAC Name2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCC(C(=O)OCCN4CCOCC4)CC3)nc2)c1
InChIInChI=1S/C32H39F2N5O4/c1-21-17-26(37-29(18-21)38-28-19-23(30(33)34)9-10-35-28)24-5-8-27(36-20-24)32(2,41)25-6-3-22(4-7-25)31(40)43-16-13-39-11-14-42-15-12-39/h5,8-10,17-20,22,25,30,41H,3-4,6-7,11-16H2,1-2H3,(H,35,37,38)
InChIKeyRPCXNOLYTQOKKG-UHFFFAOYSA-N
XLogP5.42
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.69
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate (CID 70982959) is 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate is Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCC(C(=O)OCCN4CCOCC4)CC3)nc2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate?
The InChIKey is RPCXNOLYTQOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F2N5O4/c1-21-17-26(37-29(18-21)38-28-19-23(30(33)34)9-10-35-28)24-5-8-27(36-20-24)32(2,41)25-6-3-22(4-7-25)31(40)43-16-13-39-11-14-42-15-12-39/h5,8-10,17-20,22,25,30,41H,3-4,6-7,11-16H2,1-2H3,(H,35,37,38).
What are the key properties of 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate?
2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate has a molecular weight of 595.69 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 70982959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).