1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide

C26H28ClN5O2 — CID 122355071

IUPAC1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C26H28ClN5O2/c27-20-5-3-19(4-6-20)26(11-1-2-12-26)25(33)30-22-9-7-21(8-10-22)29-24-17-23(18-28-31-24)32-13-15-34-16-14-32/h3-10,17-18H,1-2,11-16H2,(H,29,31)(H,30,33)
InChIKeyXOJIMWVAUFPRDB-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.16
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide (PubChem CID 122355071) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
PubChem CID122355071
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C26H28ClN5O2/c27-20-5-3-19(4-6-20)26(11-1-2-12-26)25(33)30-22-9-7-21(8-10-22)29-24-17-23(18-28-31-24)32-13-15-34-16-14-32/h3-10,17-18H,1-2,11-16H2,(H,29,31)(H,30,33)
InChIKeyXOJIMWVAUFPRDB-UHFFFAOYSA-N
XLogP5.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide (CID 122355071) is 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is XOJIMWVAUFPRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c27-20-5-3-19(4-6-20)26(11-1-2-12-26)25(33)30-22-9-7-21(8-10-22)29-24-17-23(18-28-31-24)32-13-15-34-16-14-32/h3-10,17-18H,1-2,11-16H2,(H,29,31)(H,30,33).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 478.00 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122355071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).