methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C19H17N5O2 — CID 153498799

IUPACmethyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2[nH]c(-c3ccc4cn(C5CC5)nc4c3)cc12
InChIInChI=1S/C19H17N5O2/c1-26-19(25)14-8-21-18(20)17-13(14)7-15(22-17)10-2-3-11-9-24(12-4-5-12)23-16(11)6-10/h2-3,6-9,12,22H,4-5H2,1H3,(H2,20,21)
InChIKeyXQWVEWBFIIUDEO-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.28
Rot. Bonds3

About methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 153498799) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID153498799
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namemethyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2[nH]c(-c3ccc4cn(C5CC5)nc4c3)cc12
InChIInChI=1S/C19H17N5O2/c1-26-19(25)14-8-21-18(20)17-13(14)7-15(22-17)10-2-3-11-9-24(12-4-5-12)23-16(11)6-10/h2-3,6-9,12,22H,4-5H2,1H3,(H2,20,21)
InChIKeyXQWVEWBFIIUDEO-UHFFFAOYSA-N
XLogP3.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 153498799) is methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N)c2[nH]c(-c3ccc4cn(C5CC5)nc4c3)cc12.
What is the InChIKey of methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is XQWVEWBFIIUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-19(25)14-8-21-18(20)17-13(14)7-15(22-17)10-2-3-11-9-24(12-4-5-12)23-16(11)6-10/h2-3,6-9,12,22H,4-5H2,1H3,(H2,20,21).
What are the key properties of methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 153498799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).