1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

C20H27FN6O2 — CID 130349615

IUPAC1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(CC3=C(C)C(N(C)C)=NC(C)N3)c2c1
InChIInChI=1S/C20H27FN6O2/c1-12-16(24-13(2)25-19(12)26(3)4)11-27-10-15(20(28)22-7-6-21)18-17(27)8-14(29-5)9-23-18/h8-10,13,24H,6-7,11H2,1-5H3,(H,22,28)
InChIKeyKQKIHYLEUPIYMI-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.93
Rot. Bonds6

About 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 130349615) has the molecular formula C20H27FN6O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID130349615
Molecular FormulaC20H27FN6O2
Molecular Weight402.47 g/mol
Exact Mass402.22
IUPAC Name1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(CC3=C(C)C(N(C)C)=NC(C)N3)c2c1
InChIInChI=1S/C20H27FN6O2/c1-12-16(24-13(2)25-19(12)26(3)4)11-27-10-15(20(28)22-7-6-21)18-17(27)8-14(29-5)9-23-18/h8-10,13,24H,6-7,11H2,1-5H3,(H,22,28)
InChIKeyKQKIHYLEUPIYMI-UHFFFAOYSA-N
XLogP1.93
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

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Related Compounds

Tba-7371
CID 72792692
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 22893800
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
3-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-phenylbenzamide
CID 52942278
[2-(2,6-Dimethyl-phenoxy)-6-ethoxy-1-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665121
1H-Pyrrolo[3,2-b]pyridine-3-carboxamide, N-(2-fluoroethyl)-1-[(6-methoxy-5-methyl-4-pyrimidinyl)methyl]-
CID 72792631
N-(cyclopropylmethyl)-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792632
N-(2-fluoroethyl)-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792633
N-[(2S)-2-fluoropropyl]-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792697
N-(2-hydroxyethyl)-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792765
1-[(5-fluoro-2-methoxy-3-pyridyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792766
N-(cyclopropylmethyl)-1-[(2-fluoro-6-methoxy-phenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792837

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (CID 130349615) is 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCF)cn(CC3=C(C)C(N(C)C)=NC(C)N3)c2c1.
What is the InChIKey of 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is KQKIHYLEUPIYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O2/c1-12-16(24-13(2)25-19(12)26(3)4)11-27-10-15(20(28)22-7-6-21)18-17(27)8-14(29-5)9-23-18/h8-10,13,24H,6-7,11H2,1-5H3,(H,22,28).
What are the key properties of 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-2,5-dimethyl-1,2-dihydropyrimidin-6-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 130349615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).