7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C27H32N4O5 — CID 50996927

IUPAC7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c(C)[nH]c23)c(OCC2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-16-24(27(34)30-18-8-11-31(12-9-18)23(33)14-32)26-25(29-16)21(7-10-28-26)20-6-5-19(35-2)13-22(20)36-15-17-3-4-17/h5-7,10,13,17-18,29,32H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,34)
InChIKeyHTJDQQLBTCCTQX-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.05
Rot. Bonds8

About 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 50996927) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID50996927
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c(C)[nH]c23)c(OCC2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-16-24(27(34)30-18-8-11-31(12-9-18)23(33)14-32)26-25(29-16)21(7-10-28-26)20-6-5-19(35-2)13-22(20)36-15-17-3-4-17/h5-7,10,13,17-18,29,32H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,34)
InChIKeyHTJDQQLBTCCTQX-UHFFFAOYSA-N
XLogP3.05
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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]-2-methyl-N-(1-propanoylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 67773551
tert-butyl (3R)-3-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]pyrrolidine-1-carboxylate
CID 67955258
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
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
7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
CID 67774625
7-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
CID 67774723
7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 67774731
4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(3R,4R)-4-hydroxy-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956080
ethyl 4-[[7-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 67774682

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 50996927) is 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(-c2ccnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c(C)[nH]c23)c(OCC2CC2)c1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is HTJDQQLBTCCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-16-24(27(34)30-18-8-11-31(12-9-18)23(33)14-32)26-25(29-16)21(7-10-28-26)20-6-5-19(35-2)13-22(20)36-15-17-3-4-17/h5-7,10,13,17-18,29,32H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,34).
What are the key properties of 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 50996927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).