7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C22H23N5O4 — CID 146592215

IUPAC7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1
InChIInChI=1S/C22H23N5O4/c1-23-20(28)12-6-7-13(17(8-12)31-3)16-9-14-15(22(30)24-2)10-25-19(18(14)26-16)27-21(29)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,23,28)(H,24,30)(H,25,27,29)
InChIKeyMEKWNUIBMONTCP-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.31
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592215) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592215
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1
InChIInChI=1S/C22H23N5O4/c1-23-20(28)12-6-7-13(17(8-12)31-3)16-9-14-15(22(30)24-2)10-25-19(18(14)26-16)27-21(29)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,23,28)(H,24,30)(H,25,27,29)
InChIKeyMEKWNUIBMONTCP-UHFFFAOYSA-N
XLogP2.31
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592215) is 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1ccc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)c(OC)c1.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is MEKWNUIBMONTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-23-20(28)12-6-7-13(17(8-12)31-3)16-9-14-15(22(30)24-2)10-25-19(18(14)26-16)27-21(29)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,23,28)(H,24,30)(H,25,27,29).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-methoxy-4-(methylcarbamoyl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).