1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C23H22N4O2S — CID 151334705

IUPAC1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)N[C@@H]3CCOC3)nc21
InChIInChI=1S/C23H22N4O2S/c1-27-8-6-19-17(10-15-2-4-16(5-3-15)21-13-30-14-24-21)11-20(26-22(19)27)23(28)25-18-7-9-29-12-18/h2-6,8,11,13-14,18H,7,9-10,12H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyOJEMHYRTHCDVQD-GOSISDBHSA-N
MW418.52 g/mol
LogP3.81
Rot. Bonds5

About 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 151334705) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID151334705
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)N[C@@H]3CCOC3)nc21
InChIInChI=1S/C23H22N4O2S/c1-27-8-6-19-17(10-15-2-4-16(5-3-15)21-13-30-14-24-21)11-20(26-22(19)27)23(28)25-18-7-9-29-12-18/h2-6,8,11,13-14,18H,7,9-10,12H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyOJEMHYRTHCDVQD-GOSISDBHSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 151334705) is 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)N[C@@H]3CCOC3)nc21.
What is the InChIKey of 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is OJEMHYRTHCDVQD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-27-8-6-19-17(10-15-2-4-16(5-3-15)21-13-30-14-24-21)11-20(26-22(19)27)23(28)25-18-7-9-29-12-18/h2-6,8,11,13-14,18H,7,9-10,12H2,1H3,(H,25,28)/t18-/m1/s1.
What are the key properties of 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 151334705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).