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

C19H23FN6O — CID 72792698

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O/c1-12-7-16-17(22-8-12)14(19(27)21-6-5-20)9-26(16)10-15-13(2)18(25(3)4)24-11-23-15/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyPINPHUOCZBNNLI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.26
Rot. Bonds6

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

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792698) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792698
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O/c1-12-7-16-17(22-8-12)14(19(27)21-6-5-20)9-26(16)10-15-13(2)18(25(3)4)24-11-23-15/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyPINPHUOCZBNNLI-UHFFFAOYSA-N
XLogP2.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792698) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cc1cnc2c(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-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is PINPHUOCZBNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-12-7-16-17(22-8-12)14(19(27)21-6-5-20)9-26(16)10-15-13(2)18(25(3)4)24-11-23-15/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-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).