2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C24H21ClN6O3 — CID 22575381

IUPAC2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccc(Cl)cc4)c(-n4cccc4)c3c2=O)o1
InChIInChI=1S/C24H21ClN6O3/c1-15-5-10-19(34-15)13-26-20(32)14-30-24(33)21-22(16(2)27-30)28-31(18-8-6-17(25)7-9-18)23(21)29-11-3-4-12-29/h3-12H,13-14H2,1-2H3,(H,26,32)
InChIKeyNDNFKDHXYNRPRX-UHFFFAOYSA-N
MW476.92 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 22575381) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID22575381
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccc(Cl)cc4)c(-n4cccc4)c3c2=O)o1
InChIInChI=1S/C24H21ClN6O3/c1-15-5-10-19(34-15)13-26-20(32)14-30-24(33)21-22(16(2)27-30)28-31(18-8-6-17(25)7-9-18)23(21)29-11-3-4-12-29/h3-12H,13-14H2,1-2H3,(H,26,32)
InChIKeyNDNFKDHXYNRPRX-UHFFFAOYSA-N
XLogP3.55
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 46350170
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-cyclopropylacetamide
CID 46350251
N-[(2-methoxyphenyl)methyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]acetamide
CID 46350271
N-[(2,5-dimethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 50798836
2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxopyrazolo[3,4-d]pyridazin-5-yl]acetic acid
CID 53213836
N-[(2-chlorophenyl)methyl]-4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 50784322
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 71840121
2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46350323
N-(5-chloro-2-methylphenyl)-4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 50784341
2-(4-fluorophenyl)-7-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-4-one
CID 46350291
2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
CID 70718190
4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46328024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 22575381) is 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccc(Cl)cc4)c(-n4cccc4)c3c2=O)o1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is NDNFKDHXYNRPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-15-5-10-19(34-15)13-26-20(32)14-30-24(33)21-22(16(2)27-30)28-31(18-8-6-17(25)7-9-18)23(21)29-11-3-4-12-29/h3-12H,13-14H2,1-2H3,(H,26,32).
What are the key properties of 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 476.92 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 22575381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).