4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C24H25N5O4 — CID 156501605

IUPAC4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(Nc1ccncc1)c1nn(C2CCCCO2)c2ccc(C3=CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C24H25N5O4/c30-23(26-18-6-10-25-11-7-18)22-19-15-17(16-8-12-28(13-9-16)24(31)32)4-5-20(19)29(27-22)21-3-1-2-14-33-21/h4-8,10-11,15,21H,1-3,9,12-14H2,(H,31,32)(H,25,26,30)
InChIKeyOYARDIDFVBNYCG-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.15
Rot. Bonds4

About 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 156501605) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID156501605
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(Nc1ccncc1)c1nn(C2CCCCO2)c2ccc(C3=CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C24H25N5O4/c30-23(26-18-6-10-25-11-7-18)22-19-15-17(16-8-12-28(13-9-16)24(31)32)4-5-20(19)29(27-22)21-3-1-2-14-33-21/h4-8,10-11,15,21H,1-3,9,12-14H2,(H,31,32)(H,25,26,30)
InChIKeyOYARDIDFVBNYCG-UHFFFAOYSA-N
XLogP4.15
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 156501605) is 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(Nc1ccncc1)c1nn(C2CCCCO2)c2ccc(C3=CCN(C(=O)O)CC3)cc12.
What is the InChIKey of 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is OYARDIDFVBNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c30-23(26-18-6-10-25-11-7-18)22-19-15-17(16-8-12-28(13-9-16)24(31)32)4-5-20(19)29(27-22)21-3-1-2-14-33-21/h4-8,10-11,15,21H,1-3,9,12-14H2,(H,31,32)(H,25,26,30).
What are the key properties of 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 447.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 156501605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).