N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C24H28N6O4 — CID 163578868

IUPACN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C2=NC(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(CO)CC3)CO2)ccn1
InChIInChI=1S/C24H28N6O4/c1-29-12-17-9-19(21(11-18(17)28-29)30-7-4-15(13-31)5-8-30)26-23(32)20-14-34-24(27-20)16-3-6-25-22(10-16)33-2/h3,6,9-12,15,20,31H,4-5,7-8,13-14H2,1-2H3,(H,26,32)
InChIKeyGFVRHQRDIZBQNQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.97
Rot. Bonds6

About N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 163578868) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID163578868
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C2=NC(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(CO)CC3)CO2)ccn1
InChIInChI=1S/C24H28N6O4/c1-29-12-17-9-19(21(11-18(17)28-29)30-7-4-15(13-31)5-8-30)26-23(32)20-14-34-24(27-20)16-3-6-25-22(10-16)33-2/h3,6,9-12,15,20,31H,4-5,7-8,13-14H2,1-2H3,(H,26,32)
InChIKeyGFVRHQRDIZBQNQ-UHFFFAOYSA-N
XLogP1.97
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 163578868) is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is COc1cc(C2=NC(C(=O)Nc3cc4cn(C)nc4cc3N3CCC(CO)CC3)CO2)ccn1.
What is the InChIKey of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is GFVRHQRDIZBQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-29-12-17-9-19(21(11-18(17)28-29)30-7-4-15(13-31)5-8-30)26-23(32)20-14-34-24(27-20)16-3-6-25-22(10-16)33-2/h3,6,9-12,15,20,31H,4-5,7-8,13-14H2,1-2H3,(H,26,32).
What are the key properties of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 163578868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).