ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate

C17H17N5O2 — CID 118274639

IUPACethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1C=C(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-2-24-17(23)22-9-15-13(5-6-18-15)16(10-22)20-12-3-4-14-11(7-12)8-19-21-14/h3-8,10,18,20H,2,9H2,1H3,(H,19,21)
InChIKeyKTLNCBNMVZZSLT-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.27
Rot. Bonds3

About ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate

ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate (PubChem CID 118274639) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
PubChem CID118274639
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Nameethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1C=C(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-2-24-17(23)22-9-15-13(5-6-18-15)16(10-22)20-12-3-4-14-11(7-12)8-19-21-14/h3-8,10,18,20H,2,9H2,1H3,(H,19,21)
InChIKeyKTLNCBNMVZZSLT-UHFFFAOYSA-N
XLogP3.27
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate (CID 118274639) is ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1C=C(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2C1.
What is the InChIKey of ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The InChIKey is KTLNCBNMVZZSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-24-17(23)22-9-15-13(5-6-18-15)16(10-22)20-12-3-4-14-11(7-12)8-19-21-14/h3-8,10,18,20H,2,9H2,1H3,(H,19,21).
What are the key properties of ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazol-5-ylamino)-1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 118274639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).