7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C27H31FN4O3 — CID 67773551

IUPAC7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ccnc23)CC1
InChIInChI=1S/C27H31FN4O3/c1-3-23(33)32-12-9-19(10-13-32)31-27(34)24-16(2)30-25-20(8-11-29-26(24)25)21-14-18(28)6-7-22(21)35-15-17-4-5-17/h6-8,11,14,17,19,30H,3-5,9-10,12-13,15H2,1-2H3,(H,31,34)
InChIKeyCSIIFFXFGUJBIF-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.60
Rot. Bonds7

About 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 67773551) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID67773551
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ccnc23)CC1
InChIInChI=1S/C27H31FN4O3/c1-3-23(33)32-12-9-19(10-13-32)31-27(34)24-16(2)30-25-20(8-11-29-26(24)25)21-14-18(28)6-7-22(21)35-15-17-4-5-17/h6-8,11,14,17,19,30H,3-5,9-10,12-13,15H2,1-2H3,(H,31,34)
InChIKeyCSIIFFXFGUJBIF-UHFFFAOYSA-N
XLogP4.60
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 50997104
7-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 50996396
4-[[4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]piperidine-1-carboxylic acid
CID 67956847
7-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 67775341
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 67775320
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-N-(1-propanoylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 50992432
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-6-methyl-N-[(3R)-1-propanoylpyrrolidin-3-yl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 50991975
7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 50996927
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4R)-3-hydroxypiperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
CID 67775900
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 67802104
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955713
N-(4-aminocyclohexyl)-7-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 67773788

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 67773551) is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ccnc23)CC1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is CSIIFFXFGUJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-3-23(33)32-12-9-19(10-13-32)31-27(34)24-16(2)30-25-20(8-11-29-26(24)25)21-14-18(28)6-7-22(21)35-15-17-4-5-17/h6-8,11,14,17,19,30H,3-5,9-10,12-13,15H2,1-2H3,(H,31,34).
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 67773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).