2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

C23H23N5O3 — CID 121231320

IUPAC2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCc1nc(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)c(C)o1
InChIInChI=1S/C23H23N5O3/c1-13(2)28-12-18(17-11-24-7-6-20(17)28)23(30)16-5-8-25-21(9-16)27-22(29)10-19-14(3)31-15(4)26-19/h5-9,11-13H,10H2,1-4H3,(H,25,27,29)
InChIKeyPWPNWTKIPWJMKG-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.03
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (PubChem CID 121231320) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
PubChem CID121231320
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCc1nc(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)c(C)o1
InChIInChI=1S/C23H23N5O3/c1-13(2)28-12-18(17-11-24-7-6-20(17)28)23(30)16-5-8-25-21(9-16)27-22(29)10-19-14(3)31-15(4)26-19/h5-9,11-13H,10H2,1-4H3,(H,25,27,29)
InChIKeyPWPNWTKIPWJMKG-UHFFFAOYSA-N
XLogP4.03
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (CID 121231320) is 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is Cc1nc(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The InChIKey is PWPNWTKIPWJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13(2)28-12-18(17-11-24-7-6-20(17)28)23(30)16-5-8-25-21(9-16)27-22(29)10-19-14(3)31-15(4)26-19/h5-9,11-13H,10H2,1-4H3,(H,25,27,29).
What are the key properties of 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 121231320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).