N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

C25H25FN6O3 — CID 166738828

IUPACN-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccc(-c2cn(C3CCCC3)c3c(=O)[nH]nc(N)c23)cc1
InChIInChI=1S/C25H25FN6O3/c1-35-25-18(10-16(26)12-29-25)23(33)28-11-14-6-8-15(9-7-14)19-13-32(17-4-2-3-5-17)21-20(19)22(27)30-31-24(21)34/h6-10,12-13,17H,2-5,11H2,1H3,(H2,27,30)(H,28,33)(H,31,34)
InChIKeyVQHAZWKWYOOQBT-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.56
Rot. Bonds6

About N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide

N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (PubChem CID 166738828) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
PubChem CID166738828
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC NameN-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)NCc1ccc(-c2cn(C3CCCC3)c3c(=O)[nH]nc(N)c23)cc1
InChIInChI=1S/C25H25FN6O3/c1-35-25-18(10-16(26)12-29-25)23(33)28-11-14-6-8-15(9-7-14)19-13-32(17-4-2-3-5-17)21-20(19)22(27)30-31-24(21)34/h6-10,12-13,17H,2-5,11H2,1H3,(H2,27,30)(H,28,33)(H,31,34)
InChIKeyVQHAZWKWYOOQBT-UHFFFAOYSA-N
XLogP3.56
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[[4-[4-amino-1-[(3R)-1-(azetidine-1-carbonyl)pyrrolidin-3-yl]-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166738854
N-[[4-[4-amino-1-[(3R)-1-cyclopropylsulfonylpyrrolidin-3-yl]-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166738897
N-[[4-[4-amino-1-(1-methylcyclobutyl)-7-oxo-6H-pyrazolo[4,5-d]pyridazin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168727470
N-[[4-[4-amino-1-(3,3-dimethylbutan-2-yl)-7-oxo-6H-pyrazolo[4,5-d]pyridazin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168727449
N-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851109
1-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-benzylurea
CID 54264130
N-[4-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide
CID 118651798
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[[4-[7-amino-3-(3-methylbutan-2-yl)-4-oxo-5H-pyrazolo[4,5-d]pyridazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166738993
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
CID 141112093
4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
4-amino-1-[1-[(E)-but-2-enoyl]piperidin-3-yl]-3-[4-(2,6-difluorophenoxy)phenyl]-6H-pyrrolo[2,3-d]pyridazin-7-one
CID 118649384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide (CID 166738828) is N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)NCc1ccc(-c2cn(C3CCCC3)c3c(=O)[nH]nc(N)c23)cc1.
What is the InChIKey of N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
The InChIKey is VQHAZWKWYOOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-35-25-18(10-16(26)12-29-25)23(33)28-11-14-6-8-15(9-7-14)19-13-32(17-4-2-3-5-17)21-20(19)22(27)30-31-24(21)34/h6-10,12-13,17H,2-5,11H2,1H3,(H2,27,30)(H,28,33)(H,31,34).
What are the key properties of N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide?
N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-1-cyclopentyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-3-yl)phenyl]methyl]-5-fluoro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 166738828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).