methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C15H17N5O2 — CID 70866036

IUPACmethyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCn1nccc1CNc1cnc2[nH]c(C(=O)OC)cc2c1
InChIInChI=1S/C15H17N5O2/c1-3-20-12(4-5-18-20)9-16-11-6-10-7-13(15(21)22-2)19-14(10)17-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,19)
InChIKeyKENHMYXWDPBTAU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.18
Rot. Bonds5

About methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 70866036) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID70866036
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Namemethyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCn1nccc1CNc1cnc2[nH]c(C(=O)OC)cc2c1
InChIInChI=1S/C15H17N5O2/c1-3-20-12(4-5-18-20)9-16-11-6-10-7-13(15(21)22-2)19-14(10)17-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,19)
InChIKeyKENHMYXWDPBTAU-UHFFFAOYSA-N
XLogP2.18
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 70866036) is methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is CCn1nccc1CNc1cnc2[nH]c(C(=O)OC)cc2c1.
What is the InChIKey of methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is KENHMYXWDPBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-20-12(4-5-18-20)9-16-11-6-10-7-13(15(21)22-2)19-14(10)17-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,19).
What are the key properties of methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 70866036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).