7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C25H26N6O3S — CID 121363453

IUPAC7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(-c3ccn(C)n3)cc1-2)C1(C)CNC1
InChIInChI=1S/C25H26N6O3S/c1-25(13-26-14-25)30(3)24(32)22-18-11-34-21-10-20(33-4)16(19-5-7-29(2)27-19)9-17(21)23(18)31(28-22)15-6-8-35-12-15/h5-10,12,26H,11,13-14H2,1-4H3/i3D3
InChIKeyBWFKISXOQIKKMP-HPRDVNIFSA-N
MW493.61 g/mol
LogP3.34
Rot. Bonds6

About 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 121363453) has the molecular formula C25H26N6O3S and a molecular weight of 493.61 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID121363453
Molecular FormulaC25H26N6O3S
Molecular Weight493.61 g/mol
Exact Mass493.20
IUPAC Name7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(-c3ccn(C)n3)cc1-2)C1(C)CNC1
InChIInChI=1S/C25H26N6O3S/c1-25(13-26-14-25)30(3)24(32)22-18-11-34-21-10-20(33-4)16(19-5-7-29(2)27-19)9-17(21)23(18)31(28-22)15-6-8-35-12-15/h5-10,12,26H,11,13-14H2,1-4H3/i3D3
InChIKeyBWFKISXOQIKKMP-HPRDVNIFSA-N
XLogP3.34
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121368658
CID 174012635
CID 174012635
[(4R,5S)-4,5-dihydroxy-2,2-dimethylpiperidin-1-yl]-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 118615584
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 87056751
N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121368717
7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(triaminomethoxymethyl)oxetan-3-yl]-N-(triaminomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 123904598
7-methoxy-8-(2-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121368662
(2,2-dimethylpiperazin-1-yl)-[7-methoxy-8-[1-[2-[1-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-2-methylpiperazin-2-yl]ethyl]pyrrol-3-yl]-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 155263742
[2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 118615575
N-tert-butyl-1-(3,5-difluorophenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615276
N-tert-butyl-7-methoxy-N-methyl-8-pyrimidin-5-yl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056510
N-tert-butyl-8-isocyano-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 140808239

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 121363453) is 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is [2H]C([2H])([2H])N(C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(-c3ccn(C)n3)cc1-2)C1(C)CNC1.
What is the InChIKey of 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BWFKISXOQIKKMP-HPRDVNIFSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-25(13-26-14-25)30(3)24(32)22-18-11-34-21-10-20(33-4)16(19-5-7-29(2)27-19)9-17(21)23(18)31(28-22)15-6-8-35-12-15/h5-10,12,26H,11,13-14H2,1-4H3/i3D3.
What are the key properties of 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylazetidin-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 121363453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).