3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

C30H37N7O2 — CID 177353907

IUPAC3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
SMILESCNC1C=CC(c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4OC)CC2)n3C)=NN1C
InChIInChI=1S/C30H37N7O2/c1-31-28-10-9-26(33-36(28)5)24-11-14-32-29-25(24)18-22(35(29)4)19-37-15-12-20(13-16-37)23-8-7-21(17-27(23)39-6)30(38)34(2)3/h7-12,14,17-18,28,31H,13,15-16,19H2,1-6H3
InChIKeyBDYHSINBRCMQHK-UHFFFAOYSA-N
MW527.67 g/mol
LogP3.32
Rot. Bonds7

About 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (PubChem CID 177353907) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
PubChem CID177353907
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC Name3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
SMILESCNC1C=CC(c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4OC)CC2)n3C)=NN1C
InChIInChI=1S/C30H37N7O2/c1-31-28-10-9-26(33-36(28)5)24-11-14-32-29-25(24)18-22(35(29)4)19-37-15-12-20(13-16-37)23-8-7-21(17-27(23)39-6)30(38)34(2)3/h7-12,14,17-18,28,31H,13,15-16,19H2,1-6H3
InChIKeyBDYHSINBRCMQHK-UHFFFAOYSA-N
XLogP3.32
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (CID 177353907) is 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is CNC1C=CC(c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4OC)CC2)n3C)=NN1C.
What is the InChIKey of 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The InChIKey is BDYHSINBRCMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-31-28-10-9-26(33-36(28)5)24-11-14-32-29-25(24)18-22(35(29)4)19-37-15-12-20(13-16-37)23-8-7-21(17-27(23)39-6)30(38)34(2)3/h7-12,14,17-18,28,31H,13,15-16,19H2,1-6H3.
What are the key properties of 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide has a molecular weight of 527.67 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-4-[1-[[1-methyl-4-[2-methyl-3-(methylamino)-3H-pyridazin-6-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is sourced from PubChem (CID 177353907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).