N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide

C27H34FN9O3 — CID 163284760

IUPACN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2c(-n3cc(C)nn3)ccc(OC)c2F)cn1Cc1cc2n(n1)C(C)(C)CN(C)C2
InChIInChI=1S/C27H34FN9O3/c1-17-11-36(33-31-17)22-7-8-23(40-6)25(28)20(22)10-29-26(38)21-14-35(24(30-21)15-39-5)12-18-9-19-13-34(4)16-27(2,3)37(19)32-18/h7-9,11,14H,10,12-13,15-16H2,1-6H3,(H,29,38)
InChIKeyZRWGEWUCBSFJLW-UHFFFAOYSA-N
MW551.63 g/mol
LogP2.42
Rot. Bonds9

About N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide

N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide (PubChem CID 163284760) has the molecular formula C27H34FN9O3 and a molecular weight of 551.63 g/mol. Its IUPAC name is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide
PubChem CID163284760
Molecular FormulaC27H34FN9O3
Molecular Weight551.63 g/mol
Exact Mass551.28
IUPAC NameN-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2c(-n3cc(C)nn3)ccc(OC)c2F)cn1Cc1cc2n(n1)C(C)(C)CN(C)C2
InChIInChI=1S/C27H34FN9O3/c1-17-11-36(33-31-17)22-7-8-23(40-6)25(28)20(22)10-29-26(38)21-14-35(24(30-21)15-39-5)12-18-9-19-13-34(4)16-27(2,3)37(19)32-18/h7-9,11,14H,10,12-13,15-16H2,1-6H3,(H,29,38)
InChIKeyZRWGEWUCBSFJLW-UHFFFAOYSA-N
XLogP2.42
TPSA117.15 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.63
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414844
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
4-N-(2-methoxyethyl)-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 67388224
8-[1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 69028196
1,3-dipropyl-8-[1-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione
CID 69031810

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide (CID 163284760) is N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide is COCc1nc(C(=O)NCc2c(-n3cc(C)nn3)ccc(OC)c2F)cn1Cc1cc2n(n1)C(C)(C)CN(C)C2.
What is the InChIKey of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide?
The InChIKey is ZRWGEWUCBSFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN9O3/c1-17-11-36(33-31-17)22-7-8-23(40-6)25(28)20(22)10-29-26(38)21-14-35(24(30-21)15-39-5)12-18-9-19-13-34(4)16-27(2,3)37(19)32-18/h7-9,11,14H,10,12-13,15-16H2,1-6H3,(H,29,38).
What are the key properties of N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide?
N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide has a molecular weight of 551.63 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-methoxy-6-(4-methyltriazol-1-yl)phenyl]methyl]-2-(methoxymethyl)-1-[(5,7,7-trimethyl-4,6-dihydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 163284760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).