2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide

C23H25N7O3 — CID 122355188

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1
InChIInChI=1S/C23H25N7O3/c31-22(14-30-15-24-20(12-23(30)32)16-1-2-16)27-18-5-3-17(4-6-18)26-21-11-19(13-25-28-21)29-7-9-33-10-8-29/h3-6,11-13,15-16H,1-2,7-10,14H2,(H,26,28)(H,27,31)
InChIKeyTZKKPNHLKZLACF-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.13
Rot. Bonds7

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 122355188) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID122355188
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1
InChIInChI=1S/C23H25N7O3/c31-22(14-30-15-24-20(12-23(30)32)16-1-2-16)27-18-5-3-17(4-6-18)26-21-11-19(13-25-28-21)29-7-9-33-10-8-29/h3-6,11-13,15-16H,1-2,7-10,14H2,(H,26,28)(H,27,31)
InChIKeyTZKKPNHLKZLACF-UHFFFAOYSA-N
XLogP2.13
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
CID 122355146
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298321
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355152

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 122355188) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide is O=C(Cn1cnc(C2CC2)cc1=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is TZKKPNHLKZLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c31-22(14-30-15-24-20(12-23(30)32)16-1-2-16)27-18-5-3-17(4-6-18)26-21-11-19(13-25-28-21)29-7-9-33-10-8-29/h3-6,11-13,15-16H,1-2,7-10,14H2,(H,26,28)(H,27,31).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).