N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide

C25H30FN9O2 — CID 134355289

IUPACN-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide
SMILESCN1NC(C)(Nc2cc(-c3ccc(F)c(NC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)C=C1N
InChIInChI=1S/C25H30FN9O2/c1-24(2,3)20-13-28-19(12-29-20)22(36)30-17-9-14(7-8-15(17)26)16-10-18(23(37)35(6)32-16)31-25(4)11-21(27)34(5)33-25/h7-13,31,33H,27H2,1-6H3,(H,30,36)
InChIKeyDUVPNJFRTDRTEX-UHFFFAOYSA-N
MW507.57 g/mol
LogP2.30
Rot. Bonds5

About N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide

N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide (PubChem CID 134355289) has the molecular formula C25H30FN9O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide
PubChem CID134355289
Molecular FormulaC25H30FN9O2
Molecular Weight507.57 g/mol
Exact Mass507.25
IUPAC NameN-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide
SMILESCN1NC(C)(Nc2cc(-c3ccc(F)c(NC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)C=C1N
InChIInChI=1S/C25H30FN9O2/c1-24(2,3)20-13-28-19(12-29-20)22(36)30-17-9-14(7-8-15(17)26)16-10-18(23(37)35(6)32-16)31-25(4)11-21(27)34(5)33-25/h7-13,31,33H,27H2,1-6H3,(H,30,36)
InChIKeyDUVPNJFRTDRTEX-UHFFFAOYSA-N
XLogP2.30
TPSA143.09 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide with MolForge

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Related Compounds

5-tert-butyl-N-[2-fluoro-5-[1-methyl-5-[[3-methyl-1-(4-methylmorpholin-3-ylidene)pent-2-en-2-yl]amino]-6-oxopyridazin-3-yl]phenyl]pyrazine-2-carboxamide
CID 91321707
6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one
CID 58540121
5-tert-butyl-N-[2-fluoro-5-[5-[(6-methoxy-2-pyridinyl)amino]-2-methyl-6-oxo-1,5-dihydropyridazin-3-yl]phenyl]pyrazine-2-carboxamide
CID 67418111
5-tert-butyl-N-[2-fluoro-5-[3-oxo-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-4H-pyridazin-6-yl]phenyl]pyrazine-2-carboxamide
CID 123551878
N-[5-[5-[(1,5-dimethylpyrazol-3-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-1-benzothiophene-2-carboxamide
CID 58540120
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide
CID 91042397
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide
CID 143997022
N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
CID 168930044
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
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CID 62952498

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide?
The IUPAC name of N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide (CID 134355289) is N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide is CN1NC(C)(Nc2cc(-c3ccc(F)c(NC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)C=C1N.
What is the InChIKey of N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide?
The InChIKey is DUVPNJFRTDRTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN9O2/c1-24(2,3)20-13-28-19(12-29-20)22(36)30-17-9-14(7-8-15(17)26)16-10-18(23(37)35(6)32-16)31-25(4)11-21(27)34(5)33-25/h7-13,31,33H,27H2,1-6H3,(H,30,36).
What are the key properties of N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide?
N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3-amino-2,5-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-6-oxopyridazin-3-yl]-2-fluorophenyl]-5-tert-butylpyrazine-2-carboxamide is sourced from PubChem (CID 134355289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).