N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide

C24H27FN6O — CID 155685420

IUPACN-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)n1)C1CCCCC1
InChIInChI=1S/C24H27FN6O/c1-29(20-5-3-2-4-6-20)23(32)21-11-12-26-24(27-21)30-14-18-15-31(28-22(18)16-30)13-17-7-9-19(25)10-8-17/h7-12,15,20H,2-6,13-14,16H2,1H3
InChIKeyTVRUPCJTHPRXLE-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.79
Rot. Bonds5

About N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide

N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide (PubChem CID 155685420) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide
PubChem CID155685420
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)n1)C1CCCCC1
InChIInChI=1S/C24H27FN6O/c1-29(20-5-3-2-4-6-20)23(32)21-11-12-26-24(27-21)30-14-18-15-31(28-22(18)16-30)13-17-7-9-19(25)10-8-17/h7-12,15,20H,2-6,13-14,16H2,1H3
InChIKeyTVRUPCJTHPRXLE-UHFFFAOYSA-N
XLogP3.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 155685431
methyl 2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyrimidine-4-carboxylate
CID 155685399
2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyrimidine-4-carbaldehyde
CID 155685419
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298262
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-cyclohexyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42856485
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109307989
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide (CID 155685420) is N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide is CN(C(=O)c1ccnc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is TVRUPCJTHPRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-29(20-5-3-2-4-6-20)23(32)21-11-12-26-24(27-21)30-14-18-15-31(28-22(18)16-30)13-17-7-9-19(25)10-8-17/h7-12,15,20H,2-6,13-14,16H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide?
N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155685420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).