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

C19H23FN6O2 — CID 90467160

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyBTQWUAZFDIYUMA-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.96
Rot. Bonds7

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

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467160) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467160
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyBTQWUAZFDIYUMA-UHFFFAOYSA-N
XLogP1.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Tba-7371
CID 72792692
CA-4948
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1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
CID 25210579
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168
1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280162
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958720
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 139447554
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467160) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1.
What is the InChIKey of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is BTQWUAZFDIYUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27).
What are the key properties of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).