1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid

C21H21N3O2 — CID 172609201

IUPAC1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCC1(c2ccnc(-c3cc4cc(CC5(C(=O)O)CC5)ncc4[nH]3)c2)CC1
InChIInChI=1S/C21H21N3O2/c1-20(3-4-20)14-2-7-22-16(10-14)17-9-13-8-15(23-12-18(13)24-17)11-21(5-6-21)19(25)26/h2,7-10,12,24H,3-6,11H2,1H3,(H,25,26)
InChIKeyHHYBUNRMIOGDRO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.08
Rot. Bonds5

About 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid

1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 172609201) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID172609201
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCC1(c2ccnc(-c3cc4cc(CC5(C(=O)O)CC5)ncc4[nH]3)c2)CC1
InChIInChI=1S/C21H21N3O2/c1-20(3-4-20)14-2-7-22-16(10-14)17-9-13-8-15(23-12-18(13)24-17)11-21(5-6-21)19(25)26/h2,7-10,12,24H,3-6,11H2,1H3,(H,25,26)
InChIKeyHHYBUNRMIOGDRO-UHFFFAOYSA-N
XLogP4.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid (CID 172609201) is 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid is CC1(c2ccnc(-c3cc4cc(CC5(C(=O)O)CC5)ncc4[nH]3)c2)CC1.
What is the InChIKey of 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HHYBUNRMIOGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-20(3-4-20)14-2-7-22-16(10-14)17-9-13-8-15(23-12-18(13)24-17)11-21(5-6-21)19(25)26/h2,7-10,12,24H,3-6,11H2,1H3,(H,25,26).
What are the key properties of 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(1-methylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 172609201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).