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

C21H25N5O3 — CID 156654263

IUPAC1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCCOc1ncnc(Cn2cc(C(=O)NCC3(O)CC3)c3ncc(C)cc32)c1C
InChIInChI=1S/C21H25N5O3/c1-4-29-20-14(3)16(24-12-25-20)10-26-9-15(18-17(26)7-13(2)8-22-18)19(27)23-11-21(28)5-6-21/h7-9,12,28H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyCSMFABMAUWOCLE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.14
Rot. Bonds7

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

1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 156654263) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID156654263
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCCOc1ncnc(Cn2cc(C(=O)NCC3(O)CC3)c3ncc(C)cc32)c1C
InChIInChI=1S/C21H25N5O3/c1-4-29-20-14(3)16(24-12-25-20)10-26-9-15(18-17(26)7-13(2)8-22-18)19(27)23-11-21(28)5-6-21/h7-9,12,28H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyCSMFABMAUWOCLE-UHFFFAOYSA-N
XLogP2.14
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Tba-7371
CID 72792692
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 25024123
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
6-bromo-N-(2-fluoroethyl)-1-((6-methoxy-5-methylpyrimidin-4-yl)methyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90466852
N-(2-fluoroethyl)-6-methyl-1-((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90466853
N-(2,2-Difluoroethyl)-1-[(5-methyl-6-methoxy-4-pyrimidinyl)methyl]-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467013
1-[[6-(difluoromethoxy)-5-methyl-pyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467156
N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467157

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 156654263) is 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is CCOc1ncnc(Cn2cc(C(=O)NCC3(O)CC3)c3ncc(C)cc32)c1C.
What is the InChIKey of 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is CSMFABMAUWOCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-29-20-14(3)16(24-12-25-20)10-26-9-15(18-17(26)7-13(2)8-22-18)19(27)23-11-21(28)5-6-21/h7-9,12,28H,4-6,10-11H2,1-3H3,(H,23,27).
What are the key properties of 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 156654263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).