N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide

C29H34FN7O3 — CID 134355290

IUPACN-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(C(C)(C)CO)=CC=C1C(=O)Nc1cc(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc1F
InChIInChI=1S/C29H34FN7O3/c1-17-11-19(29(2,3)16-38)6-7-21(17)27(39)32-24-12-18(5-8-22(24)30)23-14-25(28(40)34-33-23)31-26-13-20-15-36(4)9-10-37(20)35-26/h5-8,12-14,17,38H,9-11,15-16H2,1-4H3,(H,32,39)(H,34,40)(H,31,33,35)
InChIKeyOUMSBERVCIMUHY-UHFFFAOYSA-N
MW547.64 g/mol
LogP3.81
Rot. Bonds7

About N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide

N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 134355290) has the molecular formula C29H34FN7O3 and a molecular weight of 547.64 g/mol. Its IUPAC name is N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID134355290
Molecular FormulaC29H34FN7O3
Molecular Weight547.64 g/mol
Exact Mass547.27
IUPAC NameN-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(C(C)(C)CO)=CC=C1C(=O)Nc1cc(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc1F
InChIInChI=1S/C29H34FN7O3/c1-17-11-19(29(2,3)16-38)6-7-21(17)27(39)32-24-12-18(5-8-22(24)30)23-14-25(28(40)34-33-23)31-26-13-20-15-36(4)9-10-37(20)35-26/h5-8,12-14,17,38H,9-11,15-16H2,1-4H3,(H,32,39)(H,34,40)(H,31,33,35)
InChIKeyOUMSBERVCIMUHY-UHFFFAOYSA-N
XLogP3.81
TPSA128.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.64
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 58540329
5-tert-butyl-N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 58540178
N-[[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 134355171
4-tert-butyl-N-[6-fluoro-2-(hydroxymethyl)-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 58540320
N-[5-[5-[(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]-2-fluorophenyl]-1-benzothiophene-2-carboxamide
CID 58540126
(4S,5R)-N-[3-fluoro-6-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]-2-pyridinyl]-4,5-dihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 58540079
N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 58540422
4-tert-butyl-N-[2-fluoro-5-[5-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 67995861
3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one
CID 143996985
4-ethyl-N-[2-fluoro-5-[5-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 67417291
N-[6-fluoro-2-methyl-3-[6-oxo-5-[[5-(trideuteriomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 58540263
6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxopyridazin-3-yl]-2-pyridinyl]isoquinolin-1-one
CID 71257908

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide (CID 134355290) is N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide is CC1CC(C(C)(C)CO)=CC=C1C(=O)Nc1cc(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is OUMSBERVCIMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O3/c1-17-11-19(29(2,3)16-38)6-7-21(17)27(39)32-24-12-18(5-8-22(24)30)23-14-25(28(40)34-33-23)31-26-13-20-15-36(4)9-10-37(20)35-26/h5-8,12-14,17,38H,9-11,15-16H2,1-4H3,(H,32,39)(H,34,40)(H,31,33,35).
What are the key properties of N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide?
N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 547.64 g/mol, XLogP of 3.81, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4-(1-hydroxy-2-methylpropan-2-yl)-6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 134355290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).