N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

C21H18ClN7O — CID 149108373

IUPACN-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cnnc(Cl)c4)cc3)cn2)cn1
InChIInChI=1S/C21H18ClN7O/c1-29-13-15(9-26-29)6-20-23-10-17(11-24-20)16-4-2-14(3-5-16)7-21(30)27-18-8-19(22)28-25-12-18/h2-5,8-13H,6-7H2,1H3,(H,27,28,30)
InChIKeyQWHHTKWRDUCLLC-UHFFFAOYSA-N
MW419.88 g/mol
LogP3.09
Rot. Bonds6

About N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 149108373) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
PubChem CID149108373
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC NameN-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cnnc(Cl)c4)cc3)cn2)cn1
InChIInChI=1S/C21H18ClN7O/c1-29-13-15(9-26-29)6-20-23-10-17(11-24-20)16-4-2-14(3-5-16)7-21(30)27-18-8-19(22)28-25-12-18/h2-5,8-13H,6-7H2,1H3,(H,27,28,30)
InChIKeyQWHHTKWRDUCLLC-UHFFFAOYSA-N
XLogP3.09
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158628068
N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158503970
N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 157137083
N-[3-(1,1-difluoroethyl)-4-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 159975103
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 166877311
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide
CID 147857106
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149072934
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159863532

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (CID 149108373) is N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cnnc(Cl)c4)cc3)cn2)cn1.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is QWHHTKWRDUCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c1-29-13-15(9-26-29)6-20-23-10-17(11-24-20)16-4-2-14(3-5-16)7-21(30)27-18-8-19(22)28-25-12-18/h2-5,8-13H,6-7H2,1H3,(H,27,28,30).
What are the key properties of N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 419.88 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 149108373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).