methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide

C42H56F6N12O3Si — CID 165012872

IUPACmethane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESC.C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4ccn(C(=O)NCCC(F)(F)F)c4C3)ncnc21.O=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C23H31F3N6O2Si.C17H17F3N6O.2CH4/c1-35(2,3)13-12-34-16-31-10-6-18-20(28-15-29-21(18)31)30-9-4-17-5-11-32(19(17)14-30)22(33)27-8-7-23(24,25)26;18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15;;/h5-6,10-11,15H,4,7-9,12-14,16H2,1-3H3,(H,27,33);1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24);2*1H4
InChIKeyJYUBPJVVIFVDBO-UHFFFAOYSA-N
MW919.06 g/mol
LogP8.72
Rot. Bonds11

About methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide

methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide (PubChem CID 165012872) has the molecular formula C42H56F6N12O3Si and a molecular weight of 919.06 g/mol. Its IUPAC name is methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide.

Molecular Properties

Compound Namemethane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
PubChem CID165012872
Molecular FormulaC42H56F6N12O3Si
Molecular Weight919.06 g/mol
Exact Mass918.43
IUPAC Namemethane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESC.C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4ccn(C(=O)NCCC(F)(F)F)c4C3)ncnc21.O=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C23H31F3N6O2Si.C17H17F3N6O.2CH4/c1-35(2,3)13-12-34-16-31-10-6-18-20(28-15-29-21(18)31)30-9-4-17-5-11-32(19(17)14-30)22(33)27-8-7-23(24,25)26;18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15;;/h5-6,10-11,15H,4,7-9,12-14,16H2,1-3H3,(H,27,33);1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24);2*1H4
InChIKeyJYUBPJVVIFVDBO-UHFFFAOYSA-N
XLogP8.72
TPSA156.05 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.06
LogP ≤ 58.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide with MolForge

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Related Compounds

2-[6-(difluoromethyl)pyridin-2-yl]-N-(3-fluoropyridin-4-yl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 140891187
N-[4-[[2-[6-(difluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyridin-2-yl]acetamide
CID 140891193
2-pyrrolidin-1-yl-N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyridin-2-yl]acetamide
CID 140891199
N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyridin-2-yl]acetamide
CID 140891205
N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 140891206
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyridin-2-yl]acetamide
CID 140891209
N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 140891213
N-[3-fluoro-4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyridin-2-yl]acetamide
CID 140891214
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 155155055
(2S)-2-[[4-morpholin-4-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[6-pyrrolidin-1-yl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 157253615
2-[[(1R)-1-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(2-oxo-1H-pyrimidin-5-yl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157584385
acetamide;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 157716990

Frequently Asked Questions

What is the IUPAC name of methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The IUPAC name of methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide (CID 165012872) is methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide.
What is the SMILES notation for methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The canonical SMILES for methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide is C.C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4ccn(C(=O)NCCC(F)(F)F)c4C3)ncnc21.O=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The InChIKey is JYUBPJVVIFVDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N6O2Si.C17H17F3N6O.2CH4/c1-35(2,3)13-12-34-16-31-10-6-18-20(28-15-29-21(18)31)30-9-4-17-5-11-32(19(17)14-30)22(33)27-8-7-23(24,25)26;18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15;;/h5-6,10-11,15H,4,7-9,12-14,16H2,1-3H3,(H,27,33);1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24);2*1H4.
What are the key properties of methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide has a molecular weight of 919.06 g/mol, XLogP of 8.72, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide is sourced from PubChem (CID 165012872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).