[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C21H24F3N7O2 — CID 146290539

IUPAC[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1cc(Nc2ncc(C(=O)N3CCN(C)CC3)cc2OC)nc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C21H24F3N7O2/c1-25-14-9-16(29-19-17(14)13(11-27-19)21(22,23)24)28-18-15(33-3)8-12(10-26-18)20(32)31-6-4-30(2)5-7-31/h8-11H,4-7H2,1-3H3,(H3,25,26,27,28,29)
InChIKeyLNZPXFYMZBZCAD-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.16
Rot. Bonds5

About [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 146290539) has the molecular formula C21H24F3N7O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID146290539
Molecular FormulaC21H24F3N7O2
Molecular Weight463.46 g/mol
Exact Mass463.19
IUPAC Name[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1cc(Nc2ncc(C(=O)N3CCN(C)CC3)cc2OC)nc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C21H24F3N7O2/c1-25-14-9-16(29-19-17(14)13(11-27-19)21(22,23)24)28-18-15(33-3)8-12(10-26-18)20(32)31-6-4-30(2)5-7-31/h8-11H,4-7H2,1-3H3,(H3,25,26,27,28,29)
InChIKeyLNZPXFYMZBZCAD-UHFFFAOYSA-N
XLogP3.16
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-methoxy-4-[[3-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 142436032
[3-methoxy-4-[[4-(oxolan-3-yloxy)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 155022169
6-[4-(4,4-difluoropiperidine-1-carbonyl)-2-methoxyanilino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436034
1-[6-[[4-(ethylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone
CID 146289653
[4-[[4-ethoxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 118286448
[4-(3-bromopropyl)piperazin-1-yl]-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 170335043
6-[[4-(ethylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-methoxy-2-methyl-3H-isoindol-1-one
CID 146289649
2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-4-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 163291243
[7-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-1,3-benzodioxol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 154648554
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
6-[2-methoxy-4-[(2S)-2-methylmorpholine-4-carbonyl]anilino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142435998
[4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 143387728

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 146290539) is [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CNc1cc(Nc2ncc(C(=O)N3CCN(C)CC3)cc2OC)nc2[nH]cc(C(F)(F)F)c12.
What is the InChIKey of [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LNZPXFYMZBZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2/c1-25-14-9-16(29-19-17(14)13(11-27-19)21(22,23)24)28-18-15(33-3)8-12(10-26-18)20(32)31-6-4-30(2)5-7-31/h8-11H,4-7H2,1-3H3,(H3,25,26,27,28,29).
What are the key properties of [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 463.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-6-[[4-(methylamino)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 146290539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).