2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide

C25H29N7O3 — CID 131953538

IUPAC2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C25H29N7O3/c1-15(2)32-6-4-31(5-7-32)14-18-12-28-25(35-18)19-8-16(10-22-21(19)13-29-30-22)17-9-20(23(26)33)24(34-3)27-11-17/h8-13,15H,4-7,14H2,1-3H3,(H2,26,33)(H,29,30)
InChIKeyNFSDBQIKDHGLDJ-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.91
Rot. Bonds7

About 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide

2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide (PubChem CID 131953538) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide
PubChem CID131953538
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C25H29N7O3/c1-15(2)32-6-4-31(5-7-32)14-18-12-28-25(35-18)19-8-16(10-22-21(19)13-29-30-22)17-9-20(23(26)33)24(34-3)27-11-17/h8-13,15H,4-7,14H2,1-3H3,(H2,26,33)(H,29,30)
InChIKeyNFSDBQIKDHGLDJ-UHFFFAOYSA-N
XLogP2.91
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide (CID 131953538) is 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide is COc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide?
The InChIKey is NFSDBQIKDHGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-15(2)32-6-4-31(5-7-32)14-18-12-28-25(35-18)19-8-16(10-22-21(19)13-29-30-22)17-9-20(23(26)33)24(34-3)27-11-17/h8-13,15H,4-7,14H2,1-3H3,(H2,26,33)(H,29,30).
What are the key properties of 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide?
2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131953538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).