methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C24H21N5O4S — CID 146635222

IUPACmethyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12
InChIInChI=1S/C24H21N5O4S/c1-32-24(31)17-11-26-20(29-21(30)12-2-3-12)19-15(17)9-18(28-19)16-8-13(23-25-6-7-34-23)10-27-22(16)33-14-4-5-14/h6-12,14,28H,2-5H2,1H3,(H,26,29,30)
InChIKeyHQFOEMHHBPSDGJ-UHFFFAOYSA-N
MW475.53 g/mol
LogP4.42
Rot. Bonds7

About methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146635222) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146635222
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC Namemethyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12
InChIInChI=1S/C24H21N5O4S/c1-32-24(31)17-11-26-20(29-21(30)12-2-3-12)19-15(17)9-18(28-19)16-8-13(23-25-6-7-34-23)10-27-22(16)33-14-4-5-14/h6-12,14,28H,2-5H2,1H3,(H,26,29,30)
InChIKeyHQFOEMHHBPSDGJ-UHFFFAOYSA-N
XLogP4.42
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146635222) is methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12.
What is the InChIKey of methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is HQFOEMHHBPSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-32-24(31)17-11-26-20(29-21(30)12-2-3-12)19-15(17)9-18(28-19)16-8-13(23-25-6-7-34-23)10-27-22(16)33-14-4-5-14/h6-12,14,28H,2-5H2,1H3,(H,26,29,30).
What are the key properties of methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 475.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146635222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).